MiMeDB: Showing metabocard for Ethylmethylacetic acid (MMDBc0000213)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:40:00 UTC

Update Date

2024-09-29 03:08:47 UTC

Metabolite ID

MMDBc0000213

Metabolite Identification

Common Name

Ethylmethylacetic acid

Description

Ethylmethylacetic acid is a carboxylic acid found in low amounts in normal humans (PMID 3372640 ). It has been described in the urine of individuals with 2-ethylhydracrylic aciduria associated with short/branched-chain acyl-CoA dehydrogenase deficiency (due to ACADSB gene mutations, OMIM 600301 ) (PMID 15615815 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Methybutyric acid	ChEBI
alpha-Methyl butyric acid	ChEBI
alpha-Methylbutyric acid	ChEBI
Butane-2-carboxylic acid	ChEBI
Methylethylacetic acid	ChEBI
2-Methylbutyric acid	Kegg
2-Methybutyrate	Generator
a-Methyl butyrate	Generator
a-Methyl butyric acid	Generator
alpha-Methyl butyrate	Generator
Α-methyl butyrate	Generator
Α-methyl butyric acid	Generator
a-Methylbutyrate	Generator
a-Methylbutyric acid	Generator
alpha-Methylbutyrate	Generator
Α-methylbutyrate	Generator
Α-methylbutyric acid	Generator
Butane-2-carboxylate	Generator
Methylethylacetate	Generator
2-Methylbutyrate	Generator
Ethylmethylacetate	Generator
(+/-)-2-methylbutyrate	HMDB
(+/-)-2-methylbutyric acid	HMDB
2-Ethylpropionate	HMDB
2-Ethylpropionic acid	HMDB
2-Methyl butyrate	HMDB
2-Methyl butyric acid	HMDB
2-Methylbutanoate	HMDB, Generator
2-Methylbutanoic acid	HMDB
D-2-Methyl butyrate	HMDB
D-2-Methyl butyric acid	HMDB
DL-2-Methy butyrate	HMDB
DL-2-Methy butyric acid	HMDB
DL-2-Methylbutyrate	HMDB
DL-2-Methylbutyric acid	HMDB
2-Methylbutyrate, (+-)-isomer	MeSH, HMDB
2-Methylbutyrate, sodium salt	MeSH, HMDB
RS-2-Methylbutyrate	MeSH, HMDB
Ethylmethylacetic acid	ChEBI

Molecular Formula

C₅H₁₀O₂

Average Mass

102.1317

Monoisotopic Mass

102.068079564

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

116-53-0

SMILES

Not Available

InChI Identifier

InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChI Key

WLAMNBDJUVNPJU-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 Ethylmethylacetic acid (MMDBc0000213)

MOL for #<Metabolite:0x00007fd5d0960688>

3D MOL for #<Metabolite:0x00007fd5d0960688>

3D SDF for #<Metabolite:0x00007fd5d0960688>

3D-SDF for #<Metabolite:0x00007fd5d0960688>

PDB for #<Metabolite:0x00007fd5d0960688>

3D PDB for #<Metabolite:0x00007fd5d0960688>

SMILES for #<Metabolite:0x00007fd5d0960688>

INCHI for #<Metabolite:0x00007fd5d0960688>

Structure for #<Metabolite:0x00007fd5d0960688>

3D Structure for #<Metabolite:0x00007fd5d0960688>