MiMeDB: Showing metabocard for Acetoin (MMDBc0000230)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:40:37 UTC

Update Date

2024-10-06 23:49:45 UTC

Metabolite ID

MMDBc0000230

Metabolite Identification

Common Name

Acetoin

Description

Acetoin is a product of fermentation. It is a component of the butanediol cycle in microorganisms. In mammals it is oxidized to carbon dioxide. -- Pubchem; '3-Hydroxybutanone, also known as acetoin or acetyl methyl carbinol, is a chemical compound composed of carbon, hydrogen and oxygen. Its formula is C4H8O2. It is a colourless or pale yellow to green yellow liquid with a pleasant buttery odour. It is used as a food flavoring and a fragrance. -- Wikipedia .

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(S)-2-Acetoin	ChEBI
1-Hydroxyethyl methyl ketone	ChEBI
2,3-Butanolone	ChEBI
2-Acetoin	ChEBI
2-Hydroxy-3-butanone	ChEBI
3-Hydroxy-2-butanone	ChEBI
3-Hydroxybutan-2-one	ChEBI
Acetyl methyl carbinol	ChEBI
Dimethylketol	ChEBI
gamma-Hydroxy-beta-oxobutane	ChEBI
g-Hydroxy-b-oxobutane	Generator
Γ-hydroxy-β-oxobutane	Generator
3H-2b Butanone	MeSH
Acetylmethylcarbinol	MeSH
(R)-2-Acetoin	HMDB
(R)-3-Hydroxy-2-butanone	HMDB
(R)-3-Hydroxybutan-2-one	HMDB
(R)-Acetoin	HMDB
(R)-Dimethylketol	HMDB
2-Butanol-3-one	HMDB
2-Hydroxy-3-oxobutane	HMDB
3-Hydroxyl-2-butanone	HMDB
Acetoine	HMDB
b-Oxobutane	HMDB
beta-Oxobutane	HMDB
Acetoin	MeSH

Molecular Formula

C₄H₈O₂

Average Mass

88.1051

Monoisotopic Mass

88.0524295

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

513-86-0

SMILES

Not Available

InChI Identifier

InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3

InChI Key

ROWKJAVDOGWPAT-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

Showing metabocard for Acetoin (MMDBc0000230)

MOL for #<Metabolite:0x00007fd5fbf53dd0>

3D MOL for #<Metabolite:0x00007fd5fbf53dd0>

3D SDF for #<Metabolite:0x00007fd5fbf53dd0>

3D-SDF for #<Metabolite:0x00007fd5fbf53dd0>

PDB for #<Metabolite:0x00007fd5fbf53dd0>

3D PDB for #<Metabolite:0x00007fd5fbf53dd0>

SMILES for #<Metabolite:0x00007fd5fbf53dd0>

INCHI for #<Metabolite:0x00007fd5fbf53dd0>

Structure for #<Metabolite:0x00007fd5fbf53dd0>

3D Structure for #<Metabolite:0x00007fd5fbf53dd0>