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CHEBI:176067 - Prostaglandin PGE2 glyceryl ester

ChEBI IDCHEBI:176067
ChEBI NameProstaglandin PGE2 glyceryl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O7
Net Charge0
Average Mass426.550
Monoisotopic Mass426.26175
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)OC(CO)CO)C(=O)C[C@@H]1O
InChIInChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19-,20-,22-/m0/s1
InChIKeyHJWDPZIOTMUWRW-KSGZNQJUSA-N
ChEBI Ontology
Outgoing Relation(s)
Prostaglandin PGE2 glyceryl ester (CHEBI:176067) is a prostanoid (CHEBI:26347)
IUPAC Name 
1,3-dihydroxypropan-2-yl (Z)-7-[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Manual XrefsDatabases
30776688ChemSpider
HMDB0013045HMDB