Structure database (LMSD)

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LM IDLMFA01030084
Common Namecis-Gadoleic acid
Systematic Name9Z-eicosenoic acid
Synonymscis-9-eicosenoic acid; cis-9-icosenoic acid; C20:1n-11; Gadoleic acid;
Gondoleic acid; 9Z-eicosenic acid
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0123
PubChem CID5282767
HMDB IDHMDB0062436
CHEBI ID32419
PlantFA ID10129
InChIKeyLQJBNNIYVWPHFW-QXMHVHEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-
12H,2-10,13-19H2,1H3,(H,21,22)/b12-11-
SMILESC(CCCCCCC(=O)O)/C=C\CCCCCCCCCC
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
366.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.89Molar
Refractivity
96.32