CHEBI:184863 - 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid

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ChEBI Name 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid
ChEBI ID CHEBI:184863
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H34O6
Net Charge 0
Average Mass 346.464
Monoisotopic Mass 346.23554
InChI InChI=1S/C18H34O6/c1-2-3-7-11-16(19)17(20)14-13-15(24-23)10-8-5-4-6-9-12-18(21)22/h13-17,19-20,23H,2-12H2,1H3,(H,21,22)/b14-13+
InChIKey XKOSMZYONOMNMT-BUHFOSPRSA-N
SMILES OC(CCCCC)C(O)\C=C\C(OO)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 9-hydroperoxy-12,13-dihydroxy-10-octadecenoic acid (CHEBI:184863) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-9-hydroperoxy-12,13-dihydroxyoctadec-10-enoic acid
Manual Xrefs Databases
4445990 ChemSpider
LMFA01040012 LIPID MAPS
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