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CHEBI:186304 - 5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid

ChEBI IDCHEBI:186304
ChEBI Name5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCCCCCC(O)/C=C/C#C/C=C/C=C/C(O)C(O)CCCC(=O)O
InChIInChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h5,7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b7-5+,13-9+,14-10+
InChIKeyFGNHRTMSQFGXDG-AWDXSQJBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5,6,15-trihydroxy-7,9,13-Eicosatrien-11-ynoic acid (CHEBI:186304) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(7E,9E,13E)-5,6,15-trihydroxyicosa-7,9,13-trien-11-ynoic acid
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7822595ChemSpider
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