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CHEBI:165331 - PGE1 alcohol

ChEBI IDCHEBI:165331
ChEBI NamePGE1 alcohol
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FormulaC20H36O4
Net Charge0
Average Mass340.504
Monoisotopic Mass340.26136
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO
InChIInChI=1S/C20H36O4/c1-2-3-7-10-16(22)12-13-18-17(19(23)15-20(18)24)11-8-5-4-6-9-14-21/h12-13,16-18,20-22,24H,2-11,14-15H2,1H3/b13-12+/t16-,17+,18+,20+/m0/s1
InChIKeyCMHCOGHTKXUQKW-KOAZGICHSA-N
ChEBI Ontology
Outgoing Relation(s)
PGE1 alcohol (CHEBI:165331) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
(2R,3R,4R)-4-hydroxy-2-(7-hydroxyheptyl)-3-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
Manual XrefsDatabases
LMFA03010053LIPID MAPS
4446181ChemSpider
Registry NumbersSources
CAS:21562-57-2ChemIDplus