Structure database (LMSD)

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LM IDLMFA01030060
Common NameMargaroleic acid
Systematic Name9Z-heptadecenoic acid
Synonymscis-9-heptadecenoic acid; C17:1n-8; 9-heptadecylenic acid
Exact Mass
268.2402 (neutral)    Calculate m/z:
FormulaC17H32O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0099
PubChem CID5282748
KEGG IDC16536
HMDB IDHMDB0062437
PlantFA ID10364
InChIKeyQSBYPNXLFMSGKH-HJWRWDBZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8-9H,2-7,10-
16H2,1H3,(H,18,19)/b9-8-
SMILESC(CCCCCCC(=O)O)/C=C\CCCCCCC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
314.96Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.72Molar
Refractivity
82.47