Structure database (LMSD)

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LM IDLMFA01040056
Common Namemethyl 12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
Systematic Namemethyl 12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate
Synonyms-
Exact Mass
356.2199 (neutral)    Calculate m/z:
FormulaC19H32O6
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHydroperoxy fatty acids [FA0104]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
AbbrevFA 19:3;O4
LIPIDBANK IDDFA8075
PubChem CID5282891
InChIKeyNEFBFYIAKJRRAE-CSKARUKUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O6/c1-3-17(23-21)18-15-14-16(24-25-18)12-10-8-6-4-5-7-9-11-13-19(20)22-2/h8,10,14-18,21H,3-7,9,11-13H2,1-2H3/b10-8+
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SMILES
C(=C/CCCCCCCC(=O)OC)\CC1C=CC(OO1)C(OO)CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
369.72Topological Polar
Surface Area
78.36Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
6
 logP5.39Molar
Refractivity
96.17