Structure database (LMSD)

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LM IDLMFA01030152
Common Nameα-linolenic acid (W)
Systematic Name9Z,12Z,15Z-octadecatrienoic acid
Synonymscis-9, cis-12, cis-15-octadecatrienoic acid; C18:3n-3,6,9
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0191
PubChem Compound ID (CID)5280934
METABOLOMICS ID-
KEGG IDC06427
HMDB IDHMDB01388
YMDB ID-
CHEBI ID27432
InChIKeyDTOSIQBPPRVQHS-PDBXOOCHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9
-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
326.98Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.66Molar
Refractivity
86.90    
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