Structure Database (LMSD)

O HO O OH
Common Name
Tetracosanedioic acid
Systematic Name
Tetracosanedioic acid
Synonyms
LM ID
LMFA01170039
Formula
C24H46O4
Exact Mass
Calculate m/z
398.33961
Sum Composition
FA 24:1;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)
QXGVRGZJILVMDF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H46O4/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H,25,26)(H,27,28)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
6282
CHEBI ID
165388
PubChem CID
2724554

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 453.64
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 7.74
Molar Refractivity 116.85

Admin

Created at
-
Updated at
-