EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216377 - Sterepinic acid A

ChEBI IDCHEBI:216377
ChEBI NameSterepinic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O4
Net Charge0
Average Mass228.288
Monoisotopic Mass228.13616
SMILESCC(C)=CC[C@@H](C=C(CO)CCO)C(=O)O
InChIInChI=1S/C12H20O4/c1-9(2)3-4-11(12(15)16)7-10(8-14)5-6-13/h3,7,11,13-14H,4-6,8H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyZUDTYSNAZMLEDK-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (29865212)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sterepinic acid A (CHEBI:216377) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(2S)-6-hydroxy-4-(hydroxymethyl)-2-(3-methylbut-2-enyl)hex-3-enoic acid