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CHEBI:747176 - pinellate

Default Structure
ChEBI IDCHEBI:747176
ChEBI Namepinellate
Stars
DefinitionA trihydroxyoctadecenoate bearing an trans double bond at position 10 and hydroxyl substituents at positions 9S, 12S and 13S. Major microspecies at pH 7.3.
Last Modified13 January 2026
Submitterlaimo
DownloadsMolfile
FormulaC18H33O5
Net Charge-1
Average Mass329.457
Monoisotopic Mass329.23335
SMILESCCCCC[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/p-1/b14-13+/t15-,16-,17-/m0/s1
InChIKeyMDIUMSLCYIJBQC-MVFSOIOZSA-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)
pinellate (CHEBI:747176) is a octadecanoid anion (CHEBI:131860)
pinellate (CHEBI:747176) is a TriHOME (CHEBI:73765)
pinellate (CHEBI:747176) is conjugate base of pinellic acid (CHEBI:34506)
Synonyms  Source
9,12,13-TriHOME(1-)SUBMITTER
FA 18:1(10E;9OH,12OH,13OH)SUBMITTER
UniProt Name  Source
(9S,12S,13S)-trihydroxy-(10E)-octadecenoateUniProt