Structure database (LMSD)

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LM IDLMFA01020209
Common Name16-methyl-6Z,9Z,12Z-heptadecatrienoic acid
Systematic Name16-methyl-6Z,9Z,12Z-heptadecatrienoic acid
Synonyms-
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassBranched fatty acids [FA0102]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 18:3
LIPIDAT ID5179
PubChem CID5312305
InChIKeyKGQONBKICZUGHP-LJFLDRDWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5-6,8-9,11,17H,4,7,10,12-16H2,1-2H3,(H,19,20)/b5-3-,8-6-,11-9-
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SMILES
C(CCCC/C=C\C/C=C\C/C=C\CCC(C)C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
326.98Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.52Molar
Refractivity
86.83