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CHEBI:172574 - 8-iso-15-keto-PGE2

ChEBI IDCHEBI:172574
ChEBI Name8-iso-15-keto-PGE2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t16-,17+,19+/m0/s1
InChIKeyYRTJDWROBKPZNV-RSNVZYGJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
8-iso-15-keto-PGE2 (CHEBI:172574) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1S,2R,3R)-3-hydroxy-5-oxo-2-[(E)-3-oxooct-1-enyl]cyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
LMFA03110009LIPID MAPS
17216193ChemSpider