Structure database (LMSD)

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LM IDLMFA01030076
Common Namecis-vaccenic acid (W)
Systematic Name11Z-octadecenoic acid
Synonymscis-11-octadecenoic acid; C18:1n-7; Asclepic acid
Exact Mass
282.2559 (neutral)    Calculate m/z:
FormulaC18H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0115
PubChem CID5282761
KEGG IDC08367
HMDB IDHMDB0240219
CHEBI ID50464
PlantFA ID10077
SWISSLIPIDS IDSLM:000001202
CAYMAN ID20023
InChIKeyUWHZIFQPPBDJPM-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,
9-17H2,1H3,(H,19,20)/b8-7-
SMILESC(CCC/C=C\CCCCCC)CCCCCC(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
332.26Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.11Molar
Refractivity
87.09