CHEBI:190308 - ent-Prostaglandin E2

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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 ent-Prostaglandin E2
ChEBI ID CHEBI:190308
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.471
Monoisotopic Mass 352.22497
InChI InChI=1S/C20H32O5/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/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m1/s1
InChIKey XEYBRNLFEZDVAW-OBUVHCMGSA-N
SMILES O[C@@H]1[C@H]([C@@H](C(=O)C1)C/C=C\CCCC(O)=O)/C=C/[C@H](O)CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in intestinal content (MEO:0000968). of strain C57BL/6J  [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing ent-Prostaglandin E2 (CHEBI:190308) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1S,2S,3S)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Manual Xrefs Databases
8422937 ChemSpider
LMFA03110106 LIPID MAPS
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