Structure database (LMSD)

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LM IDLMFA01060214
Common Name7-keto-11-Octadecenoic acid
Systematic Name7-oxo-11-Octadecenoic acid
Synonyms11-Octadecenoic acid, 7-oxo-, (Z)-; 7-Oxo-11c-octadecenoic acid; 7-Keto-11c-
octadecenoic acid
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
Alternative ClassesUnsaturated fatty acids[FA0103], Octadecanoids[FA02]
PubChem CID14861231
PlantFA ID10323
InChIKeyVWEWTQPRFPEQEU-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-11-14-17(19)15-12-10-13-16-18(20)21/h7-8H,2-6,9-16H2,1H3,(H,20,21)/b8-7-
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SMILES
C(CCCCCC(=O)CCC/C=C\CCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
338.41Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.29Molar
Refractivity
87.48