Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA03090003
Common NameHepoxilin B3
Systematic Name10-hydroxy-11S,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid
SynonymsHXB3
Exact Mass
336.2301 (neutral)    Calculate m/z:
FormulaC20H32O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassHepoxilins [FA0309]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105], Epoxy fatty acids[FA0107]
AbbrevFA 20:4;O2
LIPIDBANK IDXPR5101
PubChem CID16759353
KEGG IDC14810
HMDB IDHMDB04690
CHEBI ID34784
InChIKeyDWNBPRRXEVJMPO-RNGYDEEPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O4/c1-2-3-4-5-9-12-15-18-20(24-18)17(21)14-11-8-6-7-10-13-16-19(22)23/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20-/m0/s1
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SMILES
C(O)(/C=C\C/C=C\CCCC(O)=O)[C@@H]1O[C@H]1C/C=C\CCCCC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume		366.80Topological Polar
Surface Area		70.06Hydrogen
Bond Donors		2Hydrogen
Bond Acceptors		4
 logP5.26Molar
Refractivity		98.49