Structure database (LMSD)

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LM IDLMFA01070020
Common Namemethyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
Systematic Namemethyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
SynonymsMethyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate;
methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate
Exact Mass
280.2038 (neutral)    Calculate m/z:
FormulaC17H28O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassEpoxy fatty acids [FA0107]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102]
PubChem CID5459796
KEGG IDC04867
CHEBI ID15581
InChIKeyCPVQJXZBSGXTGJ-TZDLBHCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1
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SMILES
C(=O)(OC)/C=C(\C)/CC/C=C(\C)/CC[C@H]1O[C@@]1(C)CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
308.75Topological Polar
Surface Area
38.83Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP4.75Molar
Refractivity
82.59