Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03010018
Common NamePGB2
Systematic Name15S-hydroxy-9-oxo-5Z,8(12),13E-prostatrienoic acid
SynonymsProstaglandin B2
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
AbbrevFA 20:5;O2
LIPIDBANK IDXPR1101
PubChem CID5280881
KEGG IDC05954
HMDB IDHMDB04236
CHEBI ID28099
CAYMAN ID10007201
InChIKeyPRFXRIUZNKLRHM-HKVRTXJWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1
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SMILES
C1(/C=C/[C@@H](O)CCCCC)CCC(=O)C=1C/C=C\CCCC(=O)O
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MS SpectraView MoNA MS spectra     
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume		364.16Topological Polar
Surface Area		74.60Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		4
 logP4.63Molar
Refractivity		96.31