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CHEBI:185277 - 5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid

ChEBI IDCHEBI:185277
ChEBI Name5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid
Stars
Last Modified24 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30O6
Net Charge0
Average Mass354.443
Monoisotopic Mass354.20424
SMILESCCCCC/C=C/CC1/C(=C/C(CCCC(=O)O)OO)C2CC1OO2
InChIInChI=1S/C19H30O6/c1-2-3-4-5-6-7-10-15-16(18-13-17(15)24-25-18)12-14(23-22)9-8-11-19(20)21/h6-7,12,14-15,17-18,22H,2-5,8-11,13H2,1H3,(H,20,21)/b7-6+,16-12-
InChIKeyRMDWPORTSLRMPB-SDHWVOLWSA-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-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid (CHEBI:185277) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
IUPAC Name 
(6Z)-5-hydroperoxy-6-[6-[(E)-oct-2-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-ylidene]hexanoic acid
Manual XrefsDatabases
4445995ChemSpider
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