CHEBI:187093 - 12,13,15-trihydroxy-9E-octadecenoic acid

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ChEBI Name 12,13,15-trihydroxy-9E-octadecenoic acid
ChEBI ID CHEBI:187093
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H34O5
Net Charge 0
Average Mass 330.465
Monoisotopic Mass 330.24062
InChI InChI=1S/C18H34O5/c1-2-11-15(19)14-17(21)16(20)12-9-7-5-3-4-6-8-10-13-18(22)23/h7,9,15-17,19-21H,2-6,8,10-14H2,1H3,(H,22,23)/b9-7+
InChIKey ZGSOWLLPRXIOOF-VQHVLOKHSA-N
SMILES OC(CC(O)CCC)C(O)C/C=C/CCCCCCCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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 12,13,15-trihydroxy-9E-octadecenoic acid (CHEBI:187093) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-12,13,15-trihydroxyoctadec-9-enoic acid
Manual Xrefs Databases
28287565 ChemSpider
LMFA01050555 LIPID MAPS
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