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CHEBI:190308 - ent-Prostaglandin E2

ChEBI IDCHEBI:190308
ChEBI Nameent-Prostaglandin E2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCC[C@@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)O)C(=O)C[C@@H]1O
InChIInChI=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
InChIKeyXEYBRNLFEZDVAW-OBUVHCMGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) intestinal content (NCIT:C189653) MetaboLights (MTBLS4101) Strain: C57BL/6J  [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
LMFA03110106LIPID MAPS
8422937ChemSpider