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CHEBI:194257 - 8-iso Prostaglandin A2

ChEBI IDCHEBI:194257
ChEBI Name8-iso Prostaglandin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCCCCC[C@H](O)/C=C/[C@H]1C=CC(=O)[C@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(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
InChIKeyMYHXHCUNDDAEOZ-UKUWKSPLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) peripheral blood mononuclear cell (BTO:0001025) MetaboLights (MTBLS6661)
ChEBI Ontology
Outgoing Relation(s)
8-iso Prostaglandin A2 (CHEBI:194257) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1S,2S)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]hept-5-enoic acid
Manual XrefsDatabases
24662362ChemSpider
LMFA03110140LIPID MAPS