CHEBI:172084 - (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid
ChEBI ID CHEBI:172084
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O5
Net Charge 0
Average Mass 328.449
Monoisotopic Mass 328.22497
InChI InChI=1S/C18H32O5/c1-2-3-4-5-6-9-12-15(19)18(23)16(20)13-10-7-8-11-14-17(21)22/h6,9,15,18-19,23H,2-5,7-8,10-14H2,1H3,(H,21,22)/b9-6+/t15-,18+/m0/s1
InChIKey NIOKCFABUMZUDL-XXZBLLBMSA-N
SMILES O[C@H]([C@@H](O)C/C=C/CCCCC)C(=O)CCCCCCC(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid (CHEBI:172084) is a octadecenoic acid (CHEBI:25634)
IUPAC Name
(E,9R,10S)-9,10-dihydroxy-8-oxooctadec-12-enoic acid
Last Modified
24 February 2022