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CHEBI:188277 - Prostaglandin E2 p-benzamidophenyl ester

ChEBI IDCHEBI:188277
ChEBI NameProstaglandin E2 p-benzamidophenyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41NO6
Net Charge0
Average Mass547.692
Monoisotopic Mass547.29339
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)Oc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C33H41NO6/c1-2-3-7-14-26(35)19-22-29-28(30(36)23-31(29)37)15-10-4-5-11-16-32(38)40-27-20-17-25(18-21-27)34-33(39)24-12-8-6-9-13-24/h4,6,8-10,12-13,17-22,26,28-29,31,35,37H,2-3,5,7,11,14-16,23H2,1H3,(H,34,39)/b10-4-,22-19+/t26-,28+,29+,31+/m0/s1
InChIKeyPDKOSADNQUKMKP-QFPSZITRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Prostaglandin E2 p-benzamidophenyl ester (CHEBI:188277) is a prostanoid (CHEBI:26347)
IUPAC Name 
(4-benzamidophenyl) (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
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29342007ChemSpider