Structure Database (LMSD)

O OH
Common Name
19-methyl-eicosanoic acid
Systematic Name
19-methyl-eicosanoic acid
Synonyms
LM ID
LMFA01020223
Formula
C21H42O2
Exact Mass
Calculate m/z
326.31848
Sum Composition
FA 21:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
BDGYZTCVQAZQFG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCC(C)C)(=O)O

References

Other Databases

LIPIDAT ID
8308
PubChem CID
3632876

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 386.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.36
Molar Refractivity 100.96

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Created at
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Updated at
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