Structure database (LMSD)

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LM IDLMFA03090005
Common NameHepoxilin A3
Systematic Name8-hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoic acid
SynonymsHXA3
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]
LIPIDBANK IDXPR5001
PubChem CID52921899
KEGG IDC14808
HMDB IDHMDB04688
CHEBI ID36190
InChIKeySGTUOBURCVMACZ-SEVPPISGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(2
2)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)/b9-7-,10-6-,16-15+/t17?,18-
,19-/m0/s1
SMILES-
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