Structure Database (LMSD)

O HO O OH
Common Name
Tricosanedioic acid
Systematic Name
Tricosanedioic acid
Synonyms
LM ID
LMFA01170038
Formula
C23H44O4
Exact Mass
Calculate m/z
384.32396
Sum Composition
FA 23:1;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)
QJXPRGZXRIIGOP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H44O4/c24-22(25)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23(26)27/h1-21H2,(H,24,25)(H,26,27)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
6546
CHEBI ID
137784
PubChem CID
9543669
PlantFA ID
10561

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 436.34
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.35
Molar Refractivity 112.23

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Created at
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Updated at
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