Structure database (LMSD)

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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]
LIPIDBANK IDXPR5101
PubChem CID52921898
KEGG IDC14810
HMDB IDHMDB04690
CHEBI ID34784
InChIKeyDWNBPRRXEVJMPO-RNGYDEEPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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(2
2)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
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