Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
Structure viewing options:  Static Image   GGAKetcher   MarvinView Applet   JmolApplet   ChemDraw              (?)
LM IDLMFA03010154
Common Name-
Systematic Name9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]
Synonyms-
Exact Mass
328.2250 (neutral)    Calculate m/z:
FormulaC18H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassProstaglandins [FA0301]
Alternative classificationUnsaturated fatty acid; Hydroxy fatty acid; Cyclic fatty acid;
PubChem Substance ID (SID)24701263
METABOLOMICS ID-
KEGG IDC14795
HMDB ID-
YMDB ID-
CHEBI ID34229
InChIKeyXHHYJZGDOMKLEE-RLDLTEIJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-
11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
346.27Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP3.35Molar
Refractivity
90.54    
logo LIPID MAPS is funded by a grant from the National Institute of General Medical Sciences of the National Institutes of Health.