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CHEBI:193171 - 8-J2-IsoP

Default Structure
ChEBI IDCHEBI:193171
ChEBI Name8-J2-IsoP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCC[C@@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-6-10-18-16(13-15-19(18)22)12-14-17(21)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18-/m0/s1
InChIKeyHZNAHHXOHNFXDH-UKUWKSPLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
8-J2-IsoP (CHEBI:193171) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(5Z,8S,9E)-8-hydroxy-10-[(1S,5S)-4-oxo-5-pentylcyclopent-2-en-1-yl]deca-5,9-dienoic acid
Manual XrefsDatabases
113369509ChemSpider
LMFA03110059LIPID MAPS