Structure database (LMSD)

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LM IDLMFA01040049
Common Namemethyl 10,16-dihydroperoxy-8E,12Z,14E-octadecatrienoate
Systematic Namemethyl 10,16-dihydroperoxy-8E,12Z,14E-octadecatrienoate
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 IDDFA8065
PubChem CID5282884
InChIKeyVSFQDXUQTUGXLX-KKNMDFSBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O6/c1-3-17(24-21)13-10-8-11-15-18(25-22)14-9-6-4-5-7-12-16-19(20)23-2/h8-11,13-14,17-18,21-22H,3-7,12,15-16H2,1-2H3/b11-8-,13-10+,14-9+
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SMILES
C(OO)(C/C=C\C=C\C(OO)CC)/C=C/CCCCCCC(=O)OC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
379.44Topological Polar
Surface Area
85.22Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP5.60Molar
Refractivity
97.80