Structure database (LMSD)

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LM IDLMFA03090006
Common Name14,15-HxB3 (13R)
Systematic Name13R-hydroxy-14S,15S-epoxy-5Z,8Z,11Z-eicosatrienoic acid
Synonyms14,15-Hepoxilin B3 (13R)
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]
PubChem CID52921900
SWISSLIPIDS IDSLM:000000963
InChIKeyFMRVHRPEVIVXKX-ZJIVTKJASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O4/c1-2-3-11-15-18-20(24-18)17(21)14-12-9-7-5-4-6-8-10-13-16-19(2
2)23/h5-8,12,14,17-18,20-21H,2-4,9-11,13,15-16H2,1H3,(H,22,23)/b7-5-,8-6-,14-12-
/t17-,18+,20+/m1/s1
SMILES-
StatusActive
ReferencesBiosynthesis of 14,15-Hepoxilins in Human L1236 Hodgkin Lymphoma Cells and Eosinophils
?sa Brunnstrom, Mats Hamberg, William J. Griffiths, Bengt Mannervik and Hans-Erik Claesson
Lipids Volume 46, Number 1, 69-79
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