EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:747864 - 7(S),8(S)-DiHOME(1−)

Default Structure
ChEBI IDCHEBI:747864
ChEBI Name7(S),8(S)-DiHOME(1−)
Stars
ASCII Name7(S),8(S)-DiHOME(1-)
DefinitionAn oleate hydrxylated at positions 7 and 8. Major species at pH 7.3
Last Modified23 June 2026
Submitterlaimo
DownloadsMolfile
FormulaC18H33O4
Net Charge-1
Average Mass313.458
Monoisotopic Mass313.23843
SMILESCCCCCCCC/C=C\[C@H](O)[C@@H](O)CCCCCC(=O)[O-]
InChIInChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h10,13,16-17,19-20H,2-9,11-12,14-15H2,1H3,(H,21,22)/p-1/b13-10-/t16-,17-/m0/s1
InChIKeyWBZXABQRBWTVNN-ZDSADJCOSA-M
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
7(S),8(S)-DiHOME(1−) (CHEBI:747864) has functional parent oleate (CHEBI:30823)
7(S),8(S)-DiHOME(1−) (CHEBI:747864) is a DiHOME (CHEBI:72662)
Synonym  Source
(7S,8S,9Z)-7,8-dihydroxyoctadecenoate(1-)SUBMITTER
UniProt Name  Source
(7S,8S)-dihydroxy-(9Z)-octadecenoateUniProt
Citations