Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03040001
Common NameLipoxin A4 (W)
Systematic Name5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
SynonymsLXA4; 5S,6R-LipoxinA4
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLipoxins [FA0304]
LIPIDBANK IDXPR4001
PubChem Compound ID (CID)5280914
METABOLOMICS ID-
KEGG IDC06314
HMDB IDHMDB04385
YMDB ID-
CHEBI ID6498
InChIKeyIXAQOQZEOGMIQS-SSQFXEBMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(2
4)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,1
3-9+,14-10+/t17-,18+,19-/m0/s1
SMILESCCCCC[C@@H](O)/C=C/C=C\C=C\C=C\[C@H](O)[C@H](O)CCCC(O)=O
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
385.31Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP3.99Molar
Refractivity
101.75    
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