Structure database (LMSD)

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LM IDLMFA01040045
Common Namemethyl 9,16-dihydroperoxy-10E,12,14E-octadecatrienoate
Systematic Namemethyl 9,16-dihydroperoxy-10E,12,14E-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 IDDFA8061
PubChem CID5282880
InChIKeyUCGDFIITNRZSQM-CQKWMTPNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H32O6/c1-3-17(24-21)13-9-7-8-11-15-18(25-22)14-10-5-4-6-12-16-19(20)23-2/h7-9,11,13,15,17-18,21-22H,3-6,10,12,14,16H2,1-2H3/b8-7+,13-9+,15-11+
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SMILES
C(=C/C=C/C=C/C(OO)CC)\C(OO)CCCCCCCC(=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