Structure Database (LMSD)

O HO O OH
Common Name
Japanic acid
Systematic Name
Heneicosa-1,21-dioic acid
Synonyms
  • Heneicosanedioic acid
  • Japonic acid
LM ID
LMFA01170036
Formula
C21H40O4
Exact Mass
Calculate m/z
356.29266
Sum Composition
FA 21:1;O2
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]
Dicarboxylic acids [FA0117]

String Representations

InChiKey (Click to copy)
PWLXTFFHCFWCGG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(24)25/h1-19H2,(H,22,23)(H,24,25)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3998
CHEBI ID
165385
PubChem CID
9543668
PlantFA ID
10248

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 401.74
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 6.57
Molar Refractivity 102.99

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Created at
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Updated at
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