Structure database (LMSD)

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LM IDLMFA03010023
Common NamePGK2
Systematic Name9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid
SynonymsProstaglandin K2
Exact Mass
350.2093 (neutral)    Calculate m/z:
FormulaC20H30O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID5283037
CAYMAN ID18900
InChIKeyLGMXPVXJSFPPTQ-DJUJBXLVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-2
0(24)25/h4,7,12-13,15-17,21H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,1
6+,17+/m0/s1
SMILES[C@H]1(/C=C/[C@@H](O)CCCCC)C(=O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
372.95Topological Polar
Surface Area
91.67Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP3.75Molar
Refractivity
96.66