Structure database (LMSD)

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LM IDLMFA01030366
Common Name13-eicosenoic acid
Systematic Name13-eicosenoic acid
SynonymsC20:1n-7
Exact Mass
310.2872 (neutral)    Calculate m/z:
FormulaC20H38O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 20:1
LIPIDAT ID3532
PubChem CID5312517
InChIKeyURXZXNYJPAJJOQ-BQYQJAHWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7+
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SMILES
C(CCCCCCCCCCC/C=C/CCCCCC)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings0Aromatic Rings0Rotatable Bonds17
 van der Waals
Molecular Volume
366.86Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.89Molar
Refractivity
96.32