CHEBI:188277 - Prostaglandin E2 p-benzamidophenyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Prostaglandin E2 p-benzamidophenyl ester
ChEBI ID CHEBI:188277
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H41NO6
Net Charge 0
Average Mass 547.692
Monoisotopic Mass 547.29339
InChI InChI=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
InChIKey PDKOSADNQUKMKP-QFPSZITRSA-N
SMILES O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(OC2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)=O)/C=C/[C@@H](O)CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xref Database
29342007 ChemSpider
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