Structure database (LMSD)

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LM IDLMFA03010034
Common Namebicyclo-PGE2
Systematic Name9,15-dioxo-5Z-prostaenoic acid-cyclo[11S,16]
Synonymsbicyclo-Prostaglandin E2
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID5283043
HMDB IDHMDB0060054
CAYMAN ID14530
InChIKeyCGCZPIJMGKLVTQ-PAJBVNRRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-3-8-16-17-13-19(22)15(14(17)11-12-18(16)21)9-6-4-5-7-10-2
0(23)24/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,23,24)/b6-4-/t14-,15-,16?,17+/m1/s1
SMILES[C@H]12CC(=O)[C@H](C/C=C\CCCC(=O)O)[C@H]1CCC(=O)C2([H])CCCC
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings2Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
354.44Topological Polar
Surface Area
71.44Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP4.18Molar
Refractivity
92.59