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CHEBI:165305 - 15-Methyl-15S-PGE2

ChEBI IDCHEBI:165305
ChEBI Name15-Methyl-15S-PGE2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILESCCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C21H34O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-17,19,23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,19-,21+/m1/s1
InChIKeyXSGQFHNPNWBVPT-DSFPJDRCSA-N
ChEBI Ontology
Outgoing Relation(s)
15-Methyl-15S-PGE2 (CHEBI:165305) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
Manual XrefsDatabases
4446192ChemSpider
LMFA03010064LIPID MAPS
Registry NumbersSources
CAS:35700-27-7ChemIDplus