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CHEBI:176387 - Oxo-dihydroxy-octadecadienoic acid

ChEBI IDCHEBI:176387
ChEBI NameOxo-dihydroxy-octadecadienoic acid
Stars
Last Modified23 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCC/C=C\CC(O)C(O)/C=C/C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C18H30O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-14,16-17,20-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
InChIKeyPLHUEKVESBJIRC-MKZMYESJSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Oxo-dihydroxy-octadecadienoic acid (CHEBI:176387) is a hydroxy fatty acid (CHEBI:24654)
Oxo-dihydroxy-octadecadienoic acid (CHEBI:176387) is a octadecanoid (CHEBI:36326)
Oxo-dihydroxy-octadecadienoic acid (CHEBI:176387) is a oxo fatty acid (CHEBI:59644)
IUPAC Name 
(10E,15Z)-12,13-dihydroxy-9-oxooctadeca-10,15-dienoic acid
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