Structure database (LMSD)

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LM IDLMFA01031078
Common Name5Z,9Z,12Z-Eicosatrienoic acid
Systematic Name5Z,9Z,12Z-Eicosatrienoic acid
Synonyms5,9,12-Eicosatrienoic acid, (5Z,9Z,12Z)-; Z,Z,Z-5,9,12-Eicosatrienoic acid; 5,
9,12-Icosatrienoic acid; 5c,9c,12c-Eicosatrienoic acid
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
PubChem CID131839764
PlantFA ID10351
InChIKeyLRYXBPZAMYRWHM-UCVSHGSNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h8-9
,11-12,15-16H,2-7,10,13-14,17-19H2,1H3,(H,21,22)/b9-8-,12-11-,16-15-
SMILESC(CCC/C=C\CC/C=C\C/C=C\CCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
361.58Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.44Molar
Refractivity
96.13