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CHEBI:82956 - 2-ethylhydracrylic acid

ChEBI IDCHEBI:82956
ChEBI Name2-ethylhydracrylic acid
Stars
DefinitionA 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.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC5H10O3
Net Charge0
Average Mass118.132
Monoisotopic Mass118.06299
SMILESCCC(CO)C(=O)O
InChIInChI=1S/C5H10O3/c1-2-4(3-6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyZMZQVAUJTDKQGE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (1016232)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
2-ethylhydracrylate (CHEBI:82955) is conjugate base of 2-ethylhydracrylic acid (CHEBI:82956)
IUPAC Name 
2-(hydroxymethyl)butanoic acid
Synonyms  Source
2-Ethylhydracrylic acidHMDB
3-Hydroxy-2-ethylpropanoic acidHMDB
beta-Hydroxy-alpha-ethylpropionic acidHMDB
2-(Hydroxymethyl)-Butyric acidHMDB
Manual XrefsDatabases
HMDB0000396HMDB
Registry NumbersSources
Reaxys:1747119Reaxys
CAS:4374-62-3ChemIDplus
Citations