Structure database (LMSD)

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LM IDLMFA01030382
Common Name7,10,13-Eicosatrienoic acid
Systematic Name7,10,13-Eicosatrienoic acid
SynonymsC20:3n-7,10,13
Exact Mass
306.2559 (neutral)    Calculate m/z:
FormulaC20H34O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDAT ID3509
PubChem CID5312532
InChIKeyKSDMISMEMOGBFU-SPOHZTNBSA-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/h7-8
,10-11,13-14H,2-6,9,12,15-19H2,1H3,(H,21,22)/b8-7+,11-10+,14-13+
SMILESC(CCCCC/C=C/C/C=C/C/C=C/CCCCCC)(=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