Structure Database (LMSD)

Common Name
19-oxo-eicosanoic acid
Systematic Name
19-oxo-eicosanoic acid
Synonyms
LM ID
LMFA01060132
Formula
C20H38O3
Exact Mass
Calculate m/z
326.282095
Sum Composition
FA 20:1;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
HFBZWKDJHBQKOO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H38O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h2-18H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC(=O)C)(=O)O

Other Databases

LIPIDAT ID
2237
CHEBI ID
183563
PubChem CID
5312920

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 375.65
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.29
Molar Refractivity 96.81

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Updated at
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