Structure database (LMSD)

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LM IDLMFA03010021
Common Name15-deoxy-δ-12,14-PGJ2
Systematic Name11-oxo-5Z,9,12E,14E-prostatetraenoic acid
Synonyms15-deoxy-δ-12,14-Prostaglandin J2; 15-deoxy-PGJ2
Exact Mass
316.2038 (neutral)    Calculate m/z:
FormulaC20H28O3
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1766
PubChem CID5311211
KEGG IDC14717
HMDB IDHMDB0005079
CHEBI ID34159
SWISSLIPIDS IDSLM:000399850
CAYMAN ID10007235
InChIKeyVHRUMKCAEVRUBK-GODQJPCRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)2
3/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/
s1
SMILESC1(=C/C=C/CCCCC)\C(=O)C=C[C@@H]\1C/C=C\CCCC(=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