EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:34148 - 12,13-Epoxy-9-hydroxy-10-octadecenoate

ChEBI IDCHEBI:34148
ChEBI Name12,13-Epoxy-9-hydroxy-10-octadecenoate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC[C@@H]1O[C@@H]1/C=C/[C@@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/t15-,16-,17+/m0/s1
InChIKeyWCCLYKMJXGYGEN-SYMVGPSASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12,13-Epoxy-9-hydroxy-10-octadecenoate (CHEBI:34148) is a hydroxy fatty acid (CHEBI:24654)
Synonyms  Source
12,13-Epoxy-9-hydroxy-10-octadecenoateKEGG COMPOUND
12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acidKEGG COMPOUND
(10E)-(9S,12R,13S)-12,13-Epoxy-9-hydroxyoctadec-10-enoic acidKEGG COMPOUND
Manual XrefsDatabases
C14832KEGG COMPOUND