CHEBI:165308 - 16-Phenyl-tetranor-PGE2

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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 16-Phenyl-tetranor-PGE2
ChEBI ID CHEBI:165308
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H28O5
Net Charge 0
Average Mass 372.461
Monoisotopic Mass 372.19367
InChI InChI=1S/C22H28O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,3-6,8-9,12-13,17-19,21,23,25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t17-,18-,19-,21-/m1/s1
InChIKey DXWJXQSQVUJRNS-YYWARMNLSA-N
SMILES O[C@H]1[C@@H]([C@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@@H](O)CC2=CC=CC=C2
ChEBI Ontology
Outgoing 16-Phenyl-tetranor-PGE2 (CHEBI:165308) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Manual Xrefs Databases
4446194 ChemSpider
LMFA03010066 LIPID MAPS
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