2-ethylhydracrylic acid (CHEBI:82956)

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ChEBI Name	2-ethylhydracrylic acid

ChEBI ID	CHEBI:82956

Definition	A branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB8327518, eMolecules:501674, ZINC000000900692

Download	Molfile XML SDF

Formula

C5H10O3

Net Charge

Average Mass

118.13110

Monoisotopic Mass

118.06299

InChI

InChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

InChIKey

ZMZQVAUJTDKQGE-UHFFFAOYSA-N

SMILES

CCC(CO)C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	2-ethylhydracrylic acid (CHEBI:82956) has role human metabolite (CHEBI:77746) 2-ethylhydracrylic acid (CHEBI:82956) is a branched-chain saturated fatty acid (CHEBI:39417) 2-ethylhydracrylic acid (CHEBI:82956) is a hydroxy fatty acid (CHEBI:24654) 2-ethylhydracrylic acid (CHEBI:82956) is a short-chain fatty acid (CHEBI:26666) 2-ethylhydracrylic acid (CHEBI:82956) is conjugate acid of 2-ethylhydracrylate (CHEBI:82955)

Incoming	2-ethylhydracrylate (CHEBI:82955) is conjugate base of 2-ethylhydracrylic acid (CHEBI:82956)

IUPAC Name

2-(hydroxymethyl)butanoic acid

Synonyms	Sources
2-(Hydroxymethyl)-Butyric acid	HMDB
2-Ethylhydracrylic acid	HMDB
3-Hydroxy-2-ethylpropanoic acid	HMDB
beta-Hydroxy-alpha-ethylpropionic acid	HMDB

Last Modified

23 October 2015