Structure database (LMSD)

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LM IDLMFA03010051
Common Name15-deoxy-δ-12,14-PGD2
Systematic Name9S-hydroxy-11-oxo-5Z,12E,14E-prostatrienoic acid
Synonyms15-deoxy-δ-12,14-Prostaglandin D2; 15-deoxy-PGD2
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
LIPIDBANK IDXPR1733
PubChem CID5283052
HMDB IDHMDB0062298
CAYMAN ID12700
InChIKeyQUGBPWLPAUHDTI-PLGLXCLHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(2
3)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/b9-6+,10-7-,16-12+/t1
7-,19+/m1/s1
SMILESC1(=C/C=C/CCCCC)\C(=O)C[C@H](O)[C@@H]\1C/C=C\CCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
364.16Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.49Molar
Refractivity
96.24