Structure database (LMSD)

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LM IDLMFA01030159
Common Name11,14,17-eicosatrienoic acid
Systematic Name11,14,17-eicosatrienoic acid
Synonyms11, 14, 17-icosatrienoic acid; C20:3n-3,6,9
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0198
PubChem CID5282827
InChIKeyAHANXAKGNAKFSK-IUQGRGSQSA-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/h3-4
,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+
SMILESC(/C=C/C/C=C/C/C=C/CC)CCCCCCCCC(=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