Structure database (LMSD)

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LM IDLMFA01040041
Common Namemethyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate
Systematic Namemethyl 13,15-epidioxy-16-hydroperoxy-9,11-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 IDDFA8057
PubChem CID5282876
InChIKeyZXMQUTOSCPQVII-PTSVWTKZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O6/c1-3-17(23-21)18-15-16(24-25-18)13-11-9-7-5-4-6-8-10-12-14-19(20)22-2/h7,9,11,13,16-18,21H,3-6,8,10,12,14-15H2,1-2H3/b9-7+,13-11+
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SMILES
C(/C=C/C1OOC(C(OO)CC)C1)=C\CCCCCCCC(=O)OC
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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