Structure database (LMSD)

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LM IDLMFA03040003
Common Nameepi-Lipoxin A4
Systematic Name5S,6S,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid
Synonyms5S,6S-Lipoxin A4 epi-LXA4
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassLipoxins [FA0304]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID42607306
CAYMAN ID10049
InChIKeyIXAQOQZEOGMIQS-UZDWIPAXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=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(24)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+,13-9+,14-10+/t17-,18-,19-/m0/s1
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SMILES
C(/C=C/C=C/[C@H](O)[C@@H](O)CCCC(O)=O)=C/C=C/[C@@H](O)CCCCC
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MS SpectraView MoNA MS spectra     
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