EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:165803 - 9,12,13,TriHODE

ChEBI IDCHEBI:165803
ChEBI Name9,12,13,TriHODE
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O5
Net Charge0
Average Mass328.449
Monoisotopic Mass328.22497
SMILESCC/C=C/CC(O)C(O)/C=C/C(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3+,14-13+
InChIKeyMKYUCBXUUSZMQB-NMABCHCUSA-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)
9,12,13,TriHODE (CHEBI:165803) is a octadecadienoic acid (CHEBI:25627)
IUPAC Name 
(10E,15E)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid
Manual XrefsDatabases
LMFA02000220LIPID MAPS
4472301ChemSpider