MiMeDB: Showing metabocard for D-galactono-1,4-lactone (MMDBc0054429)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:11:58 UTC

Update Date

2024-10-17 15:18:47 UTC

Metabolite ID

MMDBc0054429

Metabolite Identification

Common Name

D-galactono-1,4-lactone

Description

D-galactono-1,4-lactone, also known as gamma-D-galactonolactone or D-galactonate g-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. A galactonolactone derived from D-galactonic acid. D-galactono-1,4-lactone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,4-D-Galactonolactone	ChEBI
D-Galactonic acid gamma-lactone	ChEBI
D-Galactonic acid, gamma-lactone	ChEBI
gamma-D-Galactonolactone	ChEBI
D-Galactonate g-lactone	Generator
D-Galactonate gamma-lactone	Generator
D-Galactonate γ-lactone	Generator
D-Galactonic acid g-lactone	Generator
D-Galactonic acid γ-lactone	Generator
D-Galactonate, g-lactone	Generator
D-Galactonate, gamma-lactone	Generator
D-Galactonate, γ-lactone	Generator
D-Galactonic acid, g-lactone	Generator
D-Galactonic acid, γ-lactone	Generator
g-D-Galactonolactone	Generator
Γ-D-galactonolactone	Generator

Molecular Formula

C₆H₁₀O₆

Average Mass

178.14

Monoisotopic Mass

178.047738052

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

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+/m1/s1

InChI Key

SXZYCXMUPBBULW-AIHAYLRMSA-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:15895 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

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

Metabolic Reactions

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
Bacteria	Proteobacteria	2	Human ; Human subgingival plaque
Archaea	Crenarchaeota	1	Human feces
Archaea/Archaea	Euryarchaeota	1

Exposure Sources

Source Type	Activity	Data Source	Reference
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

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

C03383

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

97165

PDB ID

Not Available

ChEBI ID

15895

Food Biomarker Ontology

Not Available

References

Synthesis Reference

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 D-galactono-1,4-lactone (MMDBc0054429)

MOL for #<Metabolite:0x00007fdb18089558>

3D MOL for #<Metabolite:0x00007fdb18089558>

3D SDF for #<Metabolite:0x00007fdb18089558>

3D-SDF for #<Metabolite:0x00007fdb18089558>

PDB for #<Metabolite:0x00007fdb18089558>

3D PDB for #<Metabolite:0x00007fdb18089558>

SMILES for #<Metabolite:0x00007fdb18089558>

INCHI for #<Metabolite:0x00007fdb18089558>

Structure for #<Metabolite:0x00007fdb18089558>

3D Structure for #<Metabolite:0x00007fdb18089558>