MiMeDB: Showing metabocard for L-galactono-1,4-lactone (MMDBc0033141)

Plant

Animal

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:36:24 UTC

Update Date

2022-08-31 22:26:38 UTC

Metabolite ID

MMDBc0033141

Metabolite Identification

Common Name

L-galactono-1,4-lactone

Description

L-galactono-1,4-lactone belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. L-galactono-1,4-lactone exists in all eukaryotes, ranging from yeast to plants to humans. L-galactono-1,4-lactone is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on L-galactono-1,4-lactone.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652303082008142D          

 13 13  0  0  1  0            999 V2000
   11.2673  -21.1687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9352  -20.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5216  -21.9536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6022  -21.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3466  -21.9543    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3871  -20.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8310  -22.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0362  -22.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4829  -20.9131    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8693  -21.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3120  -20.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0849  -21.2091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6310  -21.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  1  0  0  0
  3  8  1  6  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
  9 11  1  6  0  0  0
 12 10  1  0  0  0  0
  1 13  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033141

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@]1(OC(=O)[C@@H](O)[C@@H]1O)[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1

> <INCHI_KEY>
SXZYCXMUPBBULW-NEEWWZBLSA-N

> <FORMULA>
C6H10O6

> <MOLECULAR_WEIGHT>
178.14

> <EXACT_MASS>
178.047738052

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.521129788715102

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-2.745273186

> <ALOGPS_LOGS>
0.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.172871312116015

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.623539809865173

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974938008499871

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
34.7788

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-galactono-1,4-lactone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-MAR-20         0                                  
HETATM    1  C   UNK     0      21.032 -39.515   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      22.279 -38.611   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      21.507 -40.980   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      23.524 -39.517   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.047 -40.981   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      24.989 -39.042   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      23.951 -42.228   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      20.601 -42.225   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      19.568 -39.038   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.423 -40.067   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      19.249 -37.531   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      16.958 -39.590   0.000  0.00  0.00           O+0
HETATM   13  H   UNK     0      19.845 -40.481   0.000  0.00  0.00           H+0
CONECT    1    2    3    9   13                                             
CONECT    2    1    4                                                       
CONECT    3    1    5    8                                                  
CONECT    4    2    5    6                                                  
CONECT    5    3    4    7                                                  
CONECT    6    4                                                            
CONECT    7    5                                                            
CONECT    8    3                                                            
CONECT    9    1   10   11                                                  
CONECT   10    9   12                                                       
CONECT   11    9                                                            
CONECT   12   10                                                            
CONECT   13    1                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END

Synonyms

Value	Source
L-galactono-γ-lactone	MetaCyc
L-Galactonate-γ-lactone	MetaCyc
L-Galactonic acid-γ-lactone	MetaCyc
L-Galactonic acid-g-lactone	MetaCyc
L-Galactonate-g-lactone	Generator
Galactono-1,4-lactone	MeSH

Molecular Formula

C₆H₁₀O₆

Average Mass

178.14

Monoisotopic Mass

178.047738052

IUPAC Name

(3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one

Traditional Name

L-galactono-1,4-lactone

CAS Registry Number

1668-08-2

SMILES

[H][C@@]1(OC(=O)[C@@H](O)[C@@H]1O)[C@@H](O)CO

InChI Identifier

InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1

InChI Key

SXZYCXMUPBBULW-NEEWWZBLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Gamma butyrolactones

Direct Parent

Gamma butyrolactones

Alternative Parents

Substituents

Gamma butyrolactone
Tetrahydrofuran
Secondary alcohol
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

galactonolactone (CHEBI:17464 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	637 g/L	ALOGPS
logP	-2	ALOGPS
logP	-2.7	ChemAxon
logS	0.55	ALOGPS
pKa (Strongest Acidic)	11.62	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	107.22 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	34.78 m³·mol⁻¹	ChemAxon
Polarizability	15.52 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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 (Non-derivatized) - 70eV, Positive	splash10-08fr-9400000000-615dd94b06b3e5e78526	2016-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01t9-1900000000-f47818211aa007edc5f4	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-5900000000-c7c9eb2eaa1f91ac9951	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9100000000-072c615a4ace0aca930a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-00or-3900000000-5f8e27814cf4a835d41a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0ar0-6900000000-9a9aef2bcc37f743beab	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0596-9100000000-4892df7d8d2a53c17d7f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-9300000000-cd9f8103b846d70baac0	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4l-9000000000-650b3c2ec9303d9b2a96	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-232c502ee9a5b93d5a17	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03fu-1900000000-a9b5237063a8327d87cd	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0296-9500000000-aadb547d81673dce1915	2021-10-21	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-08mm-9100000000-0a3f8e5a08a10aa888eb	2021-10-21	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 (eluted)	2025-10-24	391.7
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	260.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	48.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	253.8
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	297.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-24	347.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	774.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	749.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	994.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	178.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	292.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	194.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	32.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	365.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	712.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	86.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	271.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	938.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	639.8

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	L-galactono-1,4-lactone_TMS_1	C[Si](C)(C)O[C@@H]1C(=O)O[C@H]([C@@H](O)CO)[C@H]1O	standard non polar	2025-10-24	1945.47
Gas Chromatography	L-galactono-1,4-lactone_TMS_2	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)O[C@@H]1[C@@H](O)CO	standard non polar	2025-10-24	2011.62
Gas Chromatography	L-galactono-1,4-lactone_TMS_3	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	2413.63
Gas Chromatography	L-galactono-1,4-lactone_TMS_4	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1986.34
Gas Chromatography	L-galactono-1,4-lactone_TMS_5	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1648.03
Gas Chromatography	L-galactono-1,4-lactone_TMS_6	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	1954.71
Gas Chromatography	L-galactono-1,4-lactone_TMS_7	C[Si](C)(C)O[C@@H]1C(=O)O[C@H]([C@@H](O)CO)[C@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1698.34
Gas Chromatography	L-galactono-1,4-lactone_TMS_8	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1791.19
Gas Chromatography	L-galactono-1,4-lactone_TMS_9	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2198.76
Gas Chromatography	L-galactono-1,4-lactone_TMS_10	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O)[C@@H]1O	standard non polar	2025-10-24	1937.08
Gas Chromatography	L-galactono-1,4-lactone_TMS_11	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard non polar	2025-10-24	2408.48
Gas Chromatography	L-galactono-1,4-lactone_TMS_12	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	2234.58
Gas Chromatography	L-galactono-1,4-lactone_TMS_13	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1776.07
Gas Chromatography	L-galactono-1,4-lactone_TMS_14	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1968.25
Gas Chromatography	L-galactono-1,4-lactone_TMS_15	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard non polar	2025-10-24	1674.86
Gas Chromatography	L-galactono-1,4-lactone_TMS_1	C[Si](C)(C)O[C@@H]1C(=O)O[C@H]([C@@H](O)CO)[C@H]1O	standard polar	2025-10-24	2302.94
Gas Chromatography	L-galactono-1,4-lactone_TMS_2	C[Si](C)(C)O[C@H]1[C@H](O)C(=O)O[C@@H]1[C@@H](O)CO	standard polar	2025-10-24	2181.46
Gas Chromatography	L-galactono-1,4-lactone_TMS_3	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1808.41
Gas Chromatography	L-galactono-1,4-lactone_TMS_4	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	1977.42
Gas Chromatography	L-galactono-1,4-lactone_TMS_5	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2071.43
Gas Chromatography	L-galactono-1,4-lactone_TMS_6	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	1454.05
Gas Chromatography	L-galactono-1,4-lactone_TMS_7	C[Si](C)(C)O[C@@H]1C(=O)O[C@H]([C@@H](O)CO)[C@H]1O[Si](C)(C)C	standard polar	2025-10-24	1851.18
Gas Chromatography	L-galactono-1,4-lactone_TMS_8	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2823.32
Gas Chromatography	L-galactono-1,4-lactone_TMS_9	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2472.11
Gas Chromatography	L-galactono-1,4-lactone_TMS_10	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O)[C@@H]1O	standard polar	2025-10-24	2275.66
Gas Chromatography	L-galactono-1,4-lactone_TMS_11	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O	standard polar	2025-10-24	2363.86
Gas Chromatography	L-galactono-1,4-lactone_TMS_12	C[Si](C)(C)O[C@@H](CO)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2371.86
Gas Chromatography	L-galactono-1,4-lactone_TMS_13	C[Si](C)(C)OC[C@H](O)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2635.06
Gas Chromatography	L-galactono-1,4-lactone_TMS_14	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	1565.28
Gas Chromatography	L-galactono-1,4-lactone_TMS_15	C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@H]1OC(=O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	standard polar	2025-10-24	2064.57

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
Eukaryota/Fungi	Ascomycota	2	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

HMDB0304401

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

17464

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for L-galactono-1,4-lactone (MMDBc0033141)

MOL for #<Metabolite:0x00005643238407a8>

3D MOL for #<Metabolite:0x00005643238407a8>

3D SDF for #<Metabolite:0x00005643238407a8>

3D-SDF for #<Metabolite:0x00005643238407a8>

PDB for #<Metabolite:0x00005643238407a8>

3D PDB for #<Metabolite:0x00005643238407a8>

SMILES for #<Metabolite:0x00005643238407a8>

INCHI for #<Metabolite:0x00005643238407a8>

Structure for #<Metabolite:0x00005643238407a8>

3D Structure for #<Metabolite:0x00005643238407a8>