MiMeDB: Showing metabocard for PI(14:0/0:0) (MMDBc0033293)

Microbial

Human

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:42:46 UTC

Update Date

2025-10-07 16:07:58 UTC

Metabolite ID

MMDBc0033293

Metabolite Identification

Common Name

PI(14:0/0:0)

Description

PI(14:0/0:0) is a phosphatidylinositol, a class of phospholipids that play crucial roles in cellular signaling and membrane structure. There is limited literature available on this specific metabolite, indicating a need for further research to understand its biological significance and potential functions.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241223022D          

 36 36  0  0  1  0            999 V2000
    2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END


  Mrv0541 02241223022D          

 36 36  0  0  1  0            999 V2000
    2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -4.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033293

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C23H45O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(25)33-14-16(24)15-34-36(31,32)35-23-21(29)19(27)18(26)20(28)22(23)30/h16,18-24,26-30H,2-15H2,1H3,(H,31,32)/t16-,18?,19-,20?,21?,22?,23-/m1/s1

> <INCHI_KEY>
FEWCZOSQEKFJGK-QZWSCDLUSA-N

> <FORMULA>
C23H45O12P

> <MOLECULAR_WEIGHT>
544.57

> <EXACT_MASS>
544.264863416

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
58.405143875461434

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R)-2-hydroxy-3-(tetradecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

> <ALOGPS_LOGP>
1.64

> <JCHEM_LOGP>
1.1838646576666672

> <ALOGPS_LOGS>
-2.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.339055972873332

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.833538640840655

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4040034470113856

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
127.7744

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-hydroxy-3-(tetradecanoyloxy)propoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.671  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      20.005  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.339  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      22.673  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.006  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      25.340  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0       0.000  -7.700   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      -0.770  -6.366   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.770  -9.034   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -1.334  -8.470   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.001  -8.470   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -6.668  -8.470   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -5.335  -6.160   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.667  -6.160   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -1.334  -5.390   0.000  0.00  0.00           O+0
CONECT    1    2    3   20                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20    1   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24   25                                             
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   26   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   72    0
END

Synonyms

Not Available

Molecular Formula

C₂₃H₄₅O₁₂P

Average Mass

544.57

Monoisotopic Mass

544.264863416

IUPAC Name

[(2R)-2-hydroxy-3-(tetradecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

Traditional Name

(2R)-2-hydroxy-3-(tetradecanoyloxy)propoxy[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O

InChI Identifier

InChI=1S/C23H45O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(25)33-14-16(24)15-34-36(31,32)35-23-21(29)19(27)18(26)20(28)22(23)30/h16,18-24,26-30H,2-15H2,1H3,(H,31,32)/t16-,18?,19-,20?,21?,22?,23-/m1/s1

InChI Key

FEWCZOSQEKFJGK-QZWSCDLUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-acyl-sn-glycerol-3-phosphoinositols. These are glycerophosphoinositols where the glycerol is acylated only at position O-1 with a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoinositols

Direct Parent

1-acyl-sn-glycerol-3-phosphoinositols

Alternative Parents

Substituents

1-acyl-sn-glycerol-3-phosphoinositol
Inositol phosphate
Dialkyl phosphate
Cyclohexanol
Fatty acid ester
Cyclitol or derivatives
Fatty acyl
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Cyclic alcohol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Polyol
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Alcohol
Organooxygen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Monoacylglycerophosphoinositols (LMGP06050008 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.9 g/L	ALOGPS
logP	1.64	ALOGPS
logP	1.18	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	1.83	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	20	ChemAxon
Refractivity	127.77 m³·mol⁻¹	ChemAxon
Polarizability	58.41 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_4_2) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0401-1595070000-124ac71c636c3deae58e	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-07vr-2492010000-725713489c9eb3696029	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-5920000000-067cc73d2a83c07130bd	2019-02-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-056u-0092040000-3ad6bcb4b9e4cd875195	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-056r-3291000000-17ba80f9793e96a2d2b2	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9130000000-c52d892c7fedf473b6f7	2019-02-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		2022-08-20	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (void)	2025-10-24	513.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-24	193.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	513.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	553.5
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	443.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	178.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (retained)	2025-10-24	2129.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	584.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	282.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	253.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	88.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	181.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	132.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	208.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	322.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	187.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	353.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1118.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	922.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	PI(14:0/0:0)_TMS_1	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1528.84
Gas Chromatography	PI(14:0/0:0)_TMS_2	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	1984.25
Gas Chromatography	PI(14:0/0:0)_TMS_3	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	2515.62
Gas Chromatography	PI(14:0/0:0)_TMS_4	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	1758.65
Gas Chromatography	PI(14:0/0:0)_TMS_5	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1088.45
Gas Chromatography	PI(14:0/0:0)_TMS_6	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2273.03
Gas Chromatography	PI(14:0/0:0)_TMS_7	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1532.27
Gas Chromatography	PI(14:0/0:0)_TMS_8	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1588.94
Gas Chromatography	PI(14:0/0:0)_TMS_9	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2206.71
Gas Chromatography	PI(14:0/0:0)_TMS_10	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1836.55
Gas Chromatography	PI(14:0/0:0)_TMS_11	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2695.27
Gas Chromatography	PI(14:0/0:0)_TMS_12	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1774.46
Gas Chromatography	PI(14:0/0:0)_TMS_13	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1856.27
Gas Chromatography	PI(14:0/0:0)_TMS_14	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard non polar	2025-10-24	592.761
Gas Chromatography	PI(14:0/0:0)_TMS_15	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	2468.99
Gas Chromatography	PI(14:0/0:0)_TMS_16	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2563.27
Gas Chromatography	PI(14:0/0:0)_TMS_17	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1237.59
Gas Chromatography	PI(14:0/0:0)_TMS_18	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2910.63
Gas Chromatography	PI(14:0/0:0)_TMS_19	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	1505.99
Gas Chromatography	PI(14:0/0:0)_TMS_20	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	735.348
Gas Chromatography	PI(14:0/0:0)_TMS_21	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1988.77
Gas Chromatography	PI(14:0/0:0)_TMS_22	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2713.01
Gas Chromatography	PI(14:0/0:0)_TMS_23	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2022.82
Gas Chromatography	PI(14:0/0:0)_TMS_24	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1273.66
Gas Chromatography	PI(14:0/0:0)_TMS_25	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	3005.59
Gas Chromatography	PI(14:0/0:0)_TMS_26	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1880.48
Gas Chromatography	PI(14:0/0:0)_TMS_27	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1276.7
Gas Chromatography	PI(14:0/0:0)_TMS_28	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1817.11
Gas Chromatography	PI(14:0/0:0)_TMS_29	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1957.14
Gas Chromatography	PI(14:0/0:0)_TMS_30	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2706.77
Gas Chromatography	PI(14:0/0:0)_TMS_31	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2644.78
Gas Chromatography	PI(14:0/0:0)_TMS_32	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1253.62
Gas Chromatography	PI(14:0/0:0)_TMS_33	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1498.93
Gas Chromatography	PI(14:0/0:0)_TMS_34	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1938.48
Gas Chromatography	PI(14:0/0:0)_TMS_35	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2179.3
Gas Chromatography	PI(14:0/0:0)_TMS_36	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2865.72
Gas Chromatography	PI(14:0/0:0)_TMS_37	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	891.337
Gas Chromatography	PI(14:0/0:0)_TMS_38	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1068.26
Gas Chromatography	PI(14:0/0:0)_TMS_39	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1866.22
Gas Chromatography	PI(14:0/0:0)_TMS_40	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	902.608
Gas Chromatography	PI(14:0/0:0)_TMS_41	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2506.91
Gas Chromatography	PI(14:0/0:0)_TMS_42	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2238.61
Gas Chromatography	PI(14:0/0:0)_TMS_43	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1503.2
Gas Chromatography	PI(14:0/0:0)_TMS_44	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard non polar	2025-10-24	1331.33
Gas Chromatography	PI(14:0/0:0)_TMS_45	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2378.36
Gas Chromatography	PI(14:0/0:0)_TMS_46	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2339.22
Gas Chromatography	PI(14:0/0:0)_TMS_47	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1021.92
Gas Chromatography	PI(14:0/0:0)_TMS_48	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1804.63
Gas Chromatography	PI(14:0/0:0)_TMS_49	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2770.98
Gas Chromatography	PI(14:0/0:0)_TMS_50	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1732.33
Gas Chromatography	PI(14:0/0:0)_TMS_51	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1347.83
Gas Chromatography	PI(14:0/0:0)_TMS_52	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1361.87
Gas Chromatography	PI(14:0/0:0)_TMS_53	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1063.62
Gas Chromatography	PI(14:0/0:0)_TMS_54	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1123.65
Gas Chromatography	PI(14:0/0:0)_TMS_55	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2061.08
Gas Chromatography	PI(14:0/0:0)_TMS_56	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2240.51
Gas Chromatography	PI(14:0/0:0)_TMS_57	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2698.2
Gas Chromatography	PI(14:0/0:0)_TMS_58	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2934.79
Gas Chromatography	PI(14:0/0:0)_TMS_59	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1927.94
Gas Chromatography	PI(14:0/0:0)_TMS_60	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1992.16
Gas Chromatography	PI(14:0/0:0)_TMS_61	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1324.62
Gas Chromatography	PI(14:0/0:0)_TMS_62	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	3093.23
Gas Chromatography	PI(14:0/0:0)_TMS_63	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2499.18
Gas Chromatography	PI(14:0/0:0)_TMS_64	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	755.958
Gas Chromatography	PI(14:0/0:0)_TMS_65	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2731.16
Gas Chromatography	PI(14:0/0:0)_TMS_66	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	4006.66
Gas Chromatography	PI(14:0/0:0)_TMS_67	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	915.348
Gas Chromatography	PI(14:0/0:0)_TMS_68	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1940.14
Gas Chromatography	PI(14:0/0:0)_TMS_69	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1853.26
Gas Chromatography	PI(14:0/0:0)_TMS_70	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2568.36
Gas Chromatography	PI(14:0/0:0)_TMS_71	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2142.66
Gas Chromatography	PI(14:0/0:0)_TMS_72	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1775.24
Gas Chromatography	PI(14:0/0:0)_TMS_73	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1862.65
Gas Chromatography	PI(14:0/0:0)_TMS_74	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1455.11
Gas Chromatography	PI(14:0/0:0)_TMS_75	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	2913.19
Gas Chromatography	PI(14:0/0:0)_TMS_76	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1067.29
Gas Chromatography	PI(14:0/0:0)_TMS_77	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1542.86
Gas Chromatography	PI(14:0/0:0)_TMS_78	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	825.354
Gas Chromatography	PI(14:0/0:0)_TMS_79	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	116.638
Gas Chromatography	PI(14:0/0:0)_TMS_80	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1795.14
Gas Chromatography	PI(14:0/0:0)_TMS_81	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1484.32
Gas Chromatography	PI(14:0/0:0)_TMS_82	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1617.61
Gas Chromatography	PI(14:0/0:0)_TMS_83	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1589.51
Gas Chromatography	PI(14:0/0:0)_TMS_84	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2482.96
Gas Chromatography	PI(14:0/0:0)_TMS_85	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2142.24
Gas Chromatography	PI(14:0/0:0)_TMS_86	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1473.14
Gas Chromatography	PI(14:0/0:0)_TMS_87	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1356.66
Gas Chromatography	PI(14:0/0:0)_TMS_88	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	3025.8
Gas Chromatography	PI(14:0/0:0)_TMS_89	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	952.597
Gas Chromatography	PI(14:0/0:0)_TMS_90	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1631.17
Gas Chromatography	PI(14:0/0:0)_TMS_91	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2873.24
Gas Chromatography	PI(14:0/0:0)_TMS_92	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1611.48
Gas Chromatography	PI(14:0/0:0)_TMS_93	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	853.888
Gas Chromatography	PI(14:0/0:0)_TMS_94	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2161.67
Gas Chromatography	PI(14:0/0:0)_TMS_95	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	2039.23
Gas Chromatography	PI(14:0/0:0)_TMS_96	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1540.41
Gas Chromatography	PI(14:0/0:0)_TMS_97	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1938.11
Gas Chromatography	PI(14:0/0:0)_TMS_98	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-24	1938.08
Gas Chromatography	PI(14:0/0:0)_TMS_1	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2403.96
Gas Chromatography	PI(14:0/0:0)_TMS_2	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O	standard polar	2025-10-24	2435.76
Gas Chromatography	PI(14:0/0:0)_TMS_3	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard polar	2025-10-24	1575.09
Gas Chromatography	PI(14:0/0:0)_TMS_4	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	2165.19
Gas Chromatography	PI(14:0/0:0)_TMS_5	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	1586.14
Gas Chromatography	PI(14:0/0:0)_TMS_6	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2067.62
Gas Chromatography	PI(14:0/0:0)_TMS_7	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1367.12
Gas Chromatography	PI(14:0/0:0)_TMS_8	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1264.93
Gas Chromatography	PI(14:0/0:0)_TMS_9	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1563.7
Gas Chromatography	PI(14:0/0:0)_TMS_10	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2512.12
Gas Chromatography	PI(14:0/0:0)_TMS_11	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1894.65
Gas Chromatography	PI(14:0/0:0)_TMS_12	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3704.51
Gas Chromatography	PI(14:0/0:0)_TMS_13	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1406.47
Gas Chromatography	PI(14:0/0:0)_TMS_14	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O	standard polar	2025-10-24	2101.92
Gas Chromatography	PI(14:0/0:0)_TMS_15	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	1796.97
Gas Chromatography	PI(14:0/0:0)_TMS_16	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2798.65
Gas Chromatography	PI(14:0/0:0)_TMS_17	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	3154.84
Gas Chromatography	PI(14:0/0:0)_TMS_18	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2576.42
Gas Chromatography	PI(14:0/0:0)_TMS_19	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	1793.71
Gas Chromatography	PI(14:0/0:0)_TMS_20	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2432.22
Gas Chromatography	PI(14:0/0:0)_TMS_21	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2053.93
Gas Chromatography	PI(14:0/0:0)_TMS_22	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3300.54
Gas Chromatography	PI(14:0/0:0)_TMS_23	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2646.59
Gas Chromatography	PI(14:0/0:0)_TMS_24	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2308.42
Gas Chromatography	PI(14:0/0:0)_TMS_25	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3305.03
Gas Chromatography	PI(14:0/0:0)_TMS_26	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1639.09
Gas Chromatography	PI(14:0/0:0)_TMS_27	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2087.12
Gas Chromatography	PI(14:0/0:0)_TMS_28	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2196.2
Gas Chromatography	PI(14:0/0:0)_TMS_29	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	3103.41
Gas Chromatography	PI(14:0/0:0)_TMS_30	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1881.13
Gas Chromatography	PI(14:0/0:0)_TMS_31	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1476.22
Gas Chromatography	PI(14:0/0:0)_TMS_32	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1822.3
Gas Chromatography	PI(14:0/0:0)_TMS_33	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1506.89
Gas Chromatography	PI(14:0/0:0)_TMS_34	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1531.61
Gas Chromatography	PI(14:0/0:0)_TMS_35	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2031.63
Gas Chromatography	PI(14:0/0:0)_TMS_36	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1409.3
Gas Chromatography	PI(14:0/0:0)_TMS_37	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1761.15
Gas Chromatography	PI(14:0/0:0)_TMS_38	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2170.32
Gas Chromatography	PI(14:0/0:0)_TMS_39	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1970.31
Gas Chromatography	PI(14:0/0:0)_TMS_40	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1482.27
Gas Chromatography	PI(14:0/0:0)_TMS_41	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2494.14
Gas Chromatography	PI(14:0/0:0)_TMS_42	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2967.09
Gas Chromatography	PI(14:0/0:0)_TMS_43	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1931.92
Gas Chromatography	PI(14:0/0:0)_TMS_44	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O	standard polar	2025-10-24	2444.39
Gas Chromatography	PI(14:0/0:0)_TMS_45	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	2445.54
Gas Chromatography	PI(14:0/0:0)_TMS_46	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2399.53
Gas Chromatography	PI(14:0/0:0)_TMS_47	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1255.99
Gas Chromatography	PI(14:0/0:0)_TMS_48	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	3032.43
Gas Chromatography	PI(14:0/0:0)_TMS_49	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	1616.2
Gas Chromatography	PI(14:0/0:0)_TMS_50	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2687.19
Gas Chromatography	PI(14:0/0:0)_TMS_51	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1980.89
Gas Chromatography	PI(14:0/0:0)_TMS_52	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1014.27
Gas Chromatography	PI(14:0/0:0)_TMS_53	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1214.7
Gas Chromatography	PI(14:0/0:0)_TMS_54	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	-349.195
Gas Chromatography	PI(14:0/0:0)_TMS_55	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2966.93
Gas Chromatography	PI(14:0/0:0)_TMS_56	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2166.02
Gas Chromatography	PI(14:0/0:0)_TMS_57	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2684.59
Gas Chromatography	PI(14:0/0:0)_TMS_58	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2260.11
Gas Chromatography	PI(14:0/0:0)_TMS_59	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1205.41
Gas Chromatography	PI(14:0/0:0)_TMS_60	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2523.84
Gas Chromatography	PI(14:0/0:0)_TMS_61	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2188.52
Gas Chromatography	PI(14:0/0:0)_TMS_62	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1257.81
Gas Chromatography	PI(14:0/0:0)_TMS_63	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2277.3
Gas Chromatography	PI(14:0/0:0)_TMS_64	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	362.594
Gas Chromatography	PI(14:0/0:0)_TMS_65	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1195.58
Gas Chromatography	PI(14:0/0:0)_TMS_66	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2999.37
Gas Chromatography	PI(14:0/0:0)_TMS_67	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1634.31
Gas Chromatography	PI(14:0/0:0)_TMS_68	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	989.95
Gas Chromatography	PI(14:0/0:0)_TMS_69	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1328.64
Gas Chromatography	PI(14:0/0:0)_TMS_70	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1914.24
Gas Chromatography	PI(14:0/0:0)_TMS_71	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1895.34
Gas Chromatography	PI(14:0/0:0)_TMS_72	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1787.96
Gas Chromatography	PI(14:0/0:0)_TMS_73	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1132.12
Gas Chromatography	PI(14:0/0:0)_TMS_74	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2928.56
Gas Chromatography	PI(14:0/0:0)_TMS_75	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1550.62
Gas Chromatography	PI(14:0/0:0)_TMS_76	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1197.99
Gas Chromatography	PI(14:0/0:0)_TMS_77	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2648.39
Gas Chromatography	PI(14:0/0:0)_TMS_78	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1805.45
Gas Chromatography	PI(14:0/0:0)_TMS_79	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1678.73
Gas Chromatography	PI(14:0/0:0)_TMS_80	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	688.026
Gas Chromatography	PI(14:0/0:0)_TMS_81	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2247.59
Gas Chromatography	PI(14:0/0:0)_TMS_82	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	3339.27
Gas Chromatography	PI(14:0/0:0)_TMS_83	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1C(O)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1263.85
Gas Chromatography	PI(14:0/0:0)_TMS_84	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O	standard polar	2025-10-24	593.368
Gas Chromatography	PI(14:0/0:0)_TMS_85	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C	standard polar	2025-10-24	2675.48
Gas Chromatography	PI(14:0/0:0)_TMS_86	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2266.86
Gas Chromatography	PI(14:0/0:0)_TMS_87	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1829.91
Gas Chromatography	PI(14:0/0:0)_TMS_88	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	1038.39
Gas Chromatography	PI(14:0/0:0)_TMS_89	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	2407.64
Gas Chromatography	PI(14:0/0:0)_TMS_90	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1508.63
Gas Chromatography	PI(14:0/0:0)_TMS_91	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2532.16
Gas Chromatography	PI(14:0/0:0)_TMS_92	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1767.79
Gas Chromatography	PI(14:0/0:0)_TMS_93	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O[Si](C)(C)C)C(O)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1282.45
Gas Chromatography	PI(14:0/0:0)_TMS_94	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1945.92
Gas Chromatography	PI(14:0/0:0)_TMS_95	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2476.07
Gas Chromatography	PI(14:0/0:0)_TMS_96	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](O)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1535.1
Gas Chromatography	PI(14:0/0:0)_TMS_97	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O[Si](C)(C)C)C(O)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1842.69
Gas Chromatography	PI(14:0/0:0)_TMS_98	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1C(O)C(O)C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-24	1488.8

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

This table shows at most 5 pathways. For the full list of associated pathways:

See All Associated Bacterial Pathways

Name	SMPDB/PathBank	Species
phosphatidylinositol (PI(14:0/14:1(11Z))) Biosynthesis
phosphatidylinositol (PI(14:0/14:1(9Z))) Biosynthesis
phosphatidylinositol (PI(14:0/15:1(11Z))) Biosynthesis
phosphatidylinositol (PI(14:0/15:1(9Z))) Biosynthesis
phosphatidylinositol (PI(14:0/16:1(11Z))) Biosynthesis

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Ejsing CS, Sampaio JL, Surendranath V, Duchoslav E, Ekroos K, Klemm RW, Simons K, Shevchenko A: Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry. Proc Natl Acad Sci U S A. 2009 Feb 17;106(7):2136-41. doi: 10.1073/pnas.0811700106. Epub 2009 Jan 27. [PubMed:19174513 ]

Showing metabocard for PI(14:0/0:0) (MMDBc0033293)

MOL for #<Metabolite:0x00007fc97631fcd0>

3D MOL for #<Metabolite:0x00007fc97631fcd0>

3D SDF for #<Metabolite:0x00007fc97631fcd0>

3D-SDF for #<Metabolite:0x00007fc97631fcd0>

PDB for #<Metabolite:0x00007fc97631fcd0>

3D PDB for #<Metabolite:0x00007fc97631fcd0>

SMILES for #<Metabolite:0x00007fc97631fcd0>

INCHI for #<Metabolite:0x00007fc97631fcd0>

Structure for #<Metabolite:0x00007fc97631fcd0>

3D Structure for #<Metabolite:0x00007fc97631fcd0>