Structure database (LMSD)

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LM IDLMFA02000055
Common Name10-keto-12Z-octadecenoic acid
Systematic Name10-oxo-12Z-octadecenoic acid
Synonyms10-oxo-12-cis-octadecenoic acid
Exact Mass
296.2351 (neutral)    Calculate m/z:
FormulaC18H32O3
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106]
PubChem CID24970825
InChIKeyIEQLMTRAAYQDSD-FLIBITNWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11H,
2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
SMILESC(CCCCCCCCC(=O)C/C=C\CCCCC)(=O)O
StatusActive
ReferencesHou,CT
Conversion of linoleic acid to 10-hydroxy-12(Z)-octadecenoic acid byFlavobacterium sp.
Journal of the American Oil Chemists Society
Volume 71(9), 1994
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