Structure database (LMSD)

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LM IDLMFA02000299
Common NameRumelenic acid
Systematic Name9Z,11E,15Z-octadecatrienoic acid
SynonymsC18:3n-3,7,9; octadeca-9Z,11E,15Z-trienoic acid
Exact Mass
278.2246 (neutral)    Calculate m/z:
FormulaC18H30O2
CategoryFatty Acyls [FA]
Main ClassOctadecanoids [FA02]
Sub ClassOther Octadecanoids [FA0200]
Alternative ClassesUnsaturated fatty acids[FA0103]
AbbrevFA 18:3
PubChem CID9925637
CHEBI ID48907
InChIKeyWTMLOMJSCCOUNI-QQFSJYTNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-10H,2,5-6,11-17H2,1H3,(H,19,20)/b4-3-,8-7+,10-9-
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SMILES
C(=C/CC/C=C\CC)\C=C/CCCCCCCC(O)=O
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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