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

ChEBI IDCHEBI:172084
ChEBI Name(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O5
Net Charge0
Average Mass328.449
Monoisotopic Mass328.22497
SMILESCCCCC/C=C/C[C@H](O)[C@@H](O)C(=O)CCCCCCC(=O)O
InChIInChI=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
InChIKeyNIOKCFABUMZUDL-XXZBLLBMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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