Structure database (LMSD)

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LM IDLMFA03010172
Common Name15-deoxy-δ-12,14-PGA2
Systematic Name9-oxo-5Z,10,12Z,14E-prostatetraenoic acid
Synonyms15d-Prostaglandin A2; 15d-PGA2; 15-deoxy-PGA2
Exact Mass
316.2038 (neutral)    Calculate m/z:
FormulaC20H28O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
PubChem CID16061104
CAYMAN ID10265
InChIKeyBHHHGDAJJMEHST-NBIYZLHXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-9-12-17-15-16-19(21)18(17)13-10-7-8-11-14-20(22)2
3/h6-7,9-10,12,15-16,18H,2-5,8,11,13-14H2,1H3,(H,22,23)/b9-6+,10-7-,17-12-/t18-/
m1/s1
SMILESC(CCC/C=C\C[C@@H]1/C(=C\C=C\CCCCC)/C=CC1=O)(=O)O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
352.73Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.01Molar
Refractivity
94.25