MiMeDB: Showing metabocard for NMNH (MMDBc0030206)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:58:20 UTC

Update Date

2022-08-31 17:40:41 UTC

Metabolite ID

MMDBc0030206

Metabolite Identification

Common Name

NMNH

Description

NMNH is a member of the chemical class known as Nicotinamide Nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05311207122D          

 26 27  0  0  0  0            999 V2000
   -1.4884    0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    1.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    0.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    2.9812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    3.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0470    2.9812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0032   -0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.1965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4817   -1.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    1.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376    3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8237   -0.7319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3489    3.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192    2.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3093    3.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796    2.6841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642    2.9390    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245    3.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771    4.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    3.7960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129    2.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  6  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 13  4  1  0  0  0  0
 11 13  1  1  0  0  0
  8 14  1  6  0  0  0
  9 15  1  6  0  0  0
 16 10  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22 17  1  0  0  0  0
 22 18  1  0  0  0  0
 22 19  2  0  0  0  0
 22 20  1  0  0  0  0
  7 23  1  6  0  0  0
  8 24  1  1  0  0  0
  9 25  1  1  0  0  0
 11 26  1  6  0  0  0
M  END


  Mrv0541 05311207122D          

 26 27  0  0  0  0            999 V2000
   -1.4884    0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1528    0.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    1.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526    0.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    3.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3323    0.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    2.9812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    3.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0470    2.9812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0032   -0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.1965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4817   -1.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    1.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7376    3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8237   -0.7319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3489    3.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192    2.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3093    3.7236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7796    2.6841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642    2.9390    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2245    3.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2771    4.0694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    3.7960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5129    2.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  6  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13  3  1  0  0  0  0
 13  4  1  0  0  0  0
 11 13  1  1  0  0  0
  8 14  1  6  0  0  0
  9 15  1  6  0  0  0
 16 10  1  0  0  0  0
 20  5  1  0  0  0  0
 21  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22 17  1  0  0  0  0
 22 18  1  0  0  0  0
 22 19  2  0  0  0  0
 22 20  1  0  0  0  0
  7 23  1  6  0  0  0
  8 24  1  1  0  0  0
  9 25  1  1  0  0  0
 11 26  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0030206

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=CCC(=C2)C(O)=N)[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1

> <INCHI_KEY>
XQHMUSRSLNRVGA-TURQNECASA-N

> <FORMULA>
C11H17N2O8P

> <MOLECULAR_WEIGHT>
336.235

> <EXACT_MASS>
336.072252042

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
29.542421068532068

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1,4-dihydropyridine-3-carboximidic acid

> <ALOGPS_LOGP>
-1.69

> <JCHEM_LOGP>
-2.848595739944006

> <ALOGPS_LOGS>
-1.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.907448130902119

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.206734318715096

> <JCHEM_PKA_STRONGEST_BASIC>
8.14965497159585

> <JCHEM_POLAR_SURFACE_AREA>
163.76999999999998

> <JCHEM_REFRACTIVITY>
83.64680000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.27e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-4H-pyridine-3-carboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 31-MAY-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   31-MAY-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   23  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   25  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   26  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2    3                                                       
CONECT    2    1    6                                                       
CONECT    3    1   13                                                       
CONECT    4    6   13                                                       
CONECT    5    7   20                                                       
CONECT    6    2    4   10                                                  
CONECT    7    5    8   21   23                                             
CONECT    8    7    9   14   24                                             
CONECT    9    8   11   15   25                                             
CONECT   10    6   12   16                                                  
CONECT   11    9   13   21   26                                             
CONECT   12   10                                                            
CONECT   13    3    4   11                                                  
CONECT   14    8                                                            
CONECT   15    9                                                            
CONECT   16   10                                                            
CONECT   17   22                                                            
CONECT   18   22                                                            
CONECT   19   22                                                            
CONECT   20    5   22                                                       
CONECT   21    7   11                                                       
CONECT   22   17   18   19   20                                             
CONECT   23    7                                                            
CONECT   24    8                                                            
CONECT   25    9                                                            
CONECT   26   11                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

Synonyms

Not Available

Molecular Formula

C₁₁H₁₇N₂O₈P

Average Mass

336.235

Monoisotopic Mass

336.072252042

IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1,4-dihydropyridine-3-carboximidic acid

Traditional Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-4H-pyridine-3-carboximidic acid

CAS Registry Number

Not Available

SMILES

[H][C@]1(COP(O)(O)=O)O[C@@]([H])(N2C=CCC(=C2)C(O)=N)[C@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1

InChI Key

XQHMUSRSLNRVGA-TURQNECASA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as nicotinamide nucleotides. These are pyridine nucleotides, in which the pyridine base is nicotinamide or a derivative thereof.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyridine nucleotides

Sub Class

Nicotinamide nucleotides

Direct Parent

Nicotinamide nucleotides

Alternative Parents

Substituents

Nicotinamide-nucleotide
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
N-substituted nicotinamide
Pentose monosaccharide
Dihydropyridine
Monoalkyl phosphate
Hydropyridine
Alkyl phosphate
Monosaccharide
Phosphoric acid ester
Organic phosphoric acid derivative
Vinylogous amide
Tetrahydrofuran
Carboxamide group
1,2-diol
Secondary alcohol
Primary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Enamine
Oxacycle
Carboxylic acid derivative
Organic nitrogen compound
Carbonyl group
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organooxygen compound
Organic oxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

nicotinamide mononucleotide (CHEBI:74452 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	8.27 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-2.8	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.21	ChemAxon
pKa (Strongest Basic)	8.15	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	163.77 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	83.65 m³·mol⁻¹	ChemAxon
Polarizability	29.54 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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_6) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-1239000000-73855f938d7faf32a13b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-05wk-7976000000-748f625fbf699d43ea0d	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0fb9-3900000000-e898d58d4a134c5a6405	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002r-8419000000-0d3e4f9a8097e0f97c95	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9300000000-a66a98e5a3fe3e97205a	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-d1512174e0f7e24dbbf7	2015-09-15	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 (retained)	2025-10-23	578.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	355.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	78.0
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	268.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	279.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	263.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	617.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	796.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	649.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	160.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	366.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	177.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	48.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	496.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	653.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	55.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	275.7
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	751.6
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	615.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	NMNH_TMS_1	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	2108.37
Gas Chromatography	NMNH_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=CCC(C(=N)O)=C1	standard non polar	2025-10-24	2415.7
Gas Chromatography	NMNH_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O	standard non polar	2025-10-24	2411.13
Gas Chromatography	NMNH_TMS_4	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CCC(C(=N)O)=C2)[C@H](O)[C@@H]1O	standard non polar	2025-10-24	1704.24
Gas Chromatography	NMNH_TMS_5	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	1930.99
Gas Chromatography	NMNH_TMS_6	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	2755.09
Gas Chromatography	NMNH_TMS_7	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	2262.85
Gas Chromatography	NMNH_TMS_8	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	2022.69
Gas Chromatography	NMNH_TMS_9	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	1920.02
Gas Chromatography	NMNH_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1901.67
Gas Chromatography	NMNH_TMS_11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CCC(C(=N)O)=C1	standard non polar	2025-10-24	1911.63
Gas Chromatography	NMNH_TMS_12	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1184.18
Gas Chromatography	NMNH_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O	standard non polar	2025-10-24	2280.7
Gas Chromatography	NMNH_TMS_14	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	1775.24
Gas Chromatography	NMNH_TMS_15	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=N)O)=C2)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard non polar	2025-10-24	2412.11
Gas Chromatography	NMNH_TMS_16	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	1049.09
Gas Chromatography	NMNH_TMS_17	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1600.48
Gas Chromatography	NMNH_TMS_18	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	1557.36
Gas Chromatography	NMNH_TMS_19	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	2110.23
Gas Chromatography	NMNH_TMS_20	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1970.68
Gas Chromatography	NMNH_TMS_21	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1371.42
Gas Chromatography	NMNH_TMS_22	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	2261.62
Gas Chromatography	NMNH_TMS_23	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	1548.7
Gas Chromatography	NMNH_TMS_24	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1868.07
Gas Chromatography	NMNH_TMS_25	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	356.058
Gas Chromatography	NMNH_TMS_26	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CCC(C(=N)O)=C1	standard non polar	2025-10-24	1146.42
Gas Chromatography	NMNH_TMS_27	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	2378.89
Gas Chromatography	NMNH_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O	standard non polar	2025-10-24	1914.79
Gas Chromatography	NMNH_TMS_29	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	1305.78
Gas Chromatography	NMNH_TMS_30	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	1762.13
Gas Chromatography	NMNH_TMS_31	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1512.08
Gas Chromatography	NMNH_TMS_32	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1586.62
Gas Chromatography	NMNH_TMS_33	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	2820.74
Gas Chromatography	NMNH_TMS_34	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	2154.44
Gas Chromatography	NMNH_TMS_35	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	2616.3
Gas Chromatography	NMNH_TMS_36	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1711.06
Gas Chromatography	NMNH_TMS_37	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard non polar	2025-10-24	2570.0
Gas Chromatography	NMNH_TMS_38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1605.77
Gas Chromatography	NMNH_TMS_39	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	2256.12
Gas Chromatography	NMNH_TMS_40	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	2848.66
Gas Chromatography	NMNH_TMS_41	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	1393.66
Gas Chromatography	NMNH_TMS_42	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1752.55
Gas Chromatography	NMNH_TMS_43	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1889.72
Gas Chromatography	NMNH_TMS_44	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard non polar	2025-10-24	2952.4
Gas Chromatography	NMNH_TMS_45	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1591.58
Gas Chromatography	NMNH_TMS_46	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	1744.18
Gas Chromatography	NMNH_TMS_47	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard non polar	2025-10-24	2231.92
Gas Chromatography	NMNH_TMS_1	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	1788.69
Gas Chromatography	NMNH_TMS_2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=CCC(C(=N)O)=C1	standard polar	2025-10-24	1242.33
Gas Chromatography	NMNH_TMS_3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O	standard polar	2025-10-24	1942.51
Gas Chromatography	NMNH_TMS_4	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CCC(C(=N)O)=C2)[C@H](O)[C@@H]1O	standard polar	2025-10-24	2167.43
Gas Chromatography	NMNH_TMS_5	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	1437.62
Gas Chromatography	NMNH_TMS_6	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	1800.08
Gas Chromatography	NMNH_TMS_7	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2313.72
Gas Chromatography	NMNH_TMS_8	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	2787.75
Gas Chromatography	NMNH_TMS_9	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	2269.84
Gas Chromatography	NMNH_TMS_10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	677.158
Gas Chromatography	NMNH_TMS_11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=CCC(C(=N)O)=C1	standard polar	2025-10-24	1413.26
Gas Chromatography	NMNH_TMS_12	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2350.63
Gas Chromatography	NMNH_TMS_13	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O	standard polar	2025-10-24	2629.23
Gas Chromatography	NMNH_TMS_14	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	1967.29
Gas Chromatography	NMNH_TMS_15	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=N)O)=C2)[C@H](O)[C@@H]1O)O[Si](C)(C)C	standard polar	2025-10-24	2195.32
Gas Chromatography	NMNH_TMS_16	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	2079.9
Gas Chromatography	NMNH_TMS_17	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2174.25
Gas Chromatography	NMNH_TMS_18	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	2367.91
Gas Chromatography	NMNH_TMS_19	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	1576.28
Gas Chromatography	NMNH_TMS_20	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	1858.33
Gas Chromatography	NMNH_TMS_21	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2694.06
Gas Chromatography	NMNH_TMS_22	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	2555.21
Gas Chromatography	NMNH_TMS_23	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	2404.89
Gas Chromatography	NMNH_TMS_24	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2290.11
Gas Chromatography	NMNH_TMS_25	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	1270.4
Gas Chromatography	NMNH_TMS_26	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=CCC(C(=N)O)=C1	standard polar	2025-10-24	2419.49
Gas Chromatography	NMNH_TMS_27	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2011.69
Gas Chromatography	NMNH_TMS_28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O	standard polar	2025-10-24	1998.12
Gas Chromatography	NMNH_TMS_29	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	900.99
Gas Chromatography	NMNH_TMS_30	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	2136.1
Gas Chromatography	NMNH_TMS_31	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2447.35
Gas Chromatography	NMNH_TMS_32	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2152.08
Gas Chromatography	NMNH_TMS_33	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	2016.73
Gas Chromatography	NMNH_TMS_34	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	624.754
Gas Chromatography	NMNH_TMS_35	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2575.01
Gas Chromatography	NMNH_TMS_36	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	1629.63
Gas Chromatography	NMNH_TMS_37	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=CC1	standard polar	2025-10-24	1736.53
Gas Chromatography	NMNH_TMS_38	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CCC(C(=N)O)=C2)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	3031.57
Gas Chromatography	NMNH_TMS_39	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	1678.05
Gas Chromatography	NMNH_TMS_40	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	1548.89
Gas Chromatography	NMNH_TMS_41	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	3088.57
Gas Chromatography	NMNH_TMS_42	C[Si](C)(C)OC(=N)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2448.83
Gas Chromatography	NMNH_TMS_43	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2162.04
Gas Chromatography	NMNH_TMS_44	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=CC1	standard polar	2025-10-24	2084.16
Gas Chromatography	NMNH_TMS_45	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	1645.02
Gas Chromatography	NMNH_TMS_46	C[Si](C)(C)N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	2431.65
Gas Chromatography	NMNH_TMS_47	C[Si](C)(C)N=C(O[Si](C)(C)C)C1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=CC1	standard polar	2025-10-24	58.0499

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

Not Available

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
Bacteria/Eubacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	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

National Museum of Natural History

METLIN ID

Not Available

PubChem Compound

9974249

PDB ID

Not Available

ChEBI ID

74452

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Keseler IM, Collado-Vides J, Santos-Zavaleta A, Peralta-Gil M, Gama-Castro S, Muniz-Rascado L, Bonavides-Martinez C, Paley S, Krummenacker M, Altman T, Kaipa P, Spaulding A, Pacheco J, Latendresse M, Fulcher C, Sarker M, Shearer AG, Mackie A, Paulsen I, Gunsalus RP, Karp PD: EcoCyc: a comprehensive database of Escherichia coli biology. Nucleic Acids Res. 2011 Jan;39(Database issue):D583-90. doi: 10.1093/nar/gkq1143. Epub 2010 Nov 21. [PubMed:21097882 ]

Showing metabocard for NMNH (MMDBc0030206)

MOL for #<Metabolite:0x00007f9ad8e1a530>

3D MOL for #<Metabolite:0x00007f9ad8e1a530>

3D SDF for #<Metabolite:0x00007f9ad8e1a530>

3D-SDF for #<Metabolite:0x00007f9ad8e1a530>

PDB for #<Metabolite:0x00007f9ad8e1a530>

3D PDB for #<Metabolite:0x00007f9ad8e1a530>

SMILES for #<Metabolite:0x00007f9ad8e1a530>

INCHI for #<Metabolite:0x00007f9ad8e1a530>

Structure for #<Metabolite:0x00007f9ad8e1a530>

3D Structure for #<Metabolite:0x00007f9ad8e1a530>