Structure Database (LMSD)

Common Name
2,4-dimethyl-docosanoic acid
Systematic Name
2,4-dimethyl-docosanoic acid
Synonyms
LM ID
LMFA01020229
Formula
C24H48O2
Exact Mass
Calculate m/z
368.36543
Sum Composition
FA 24:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
QYNTVLCDAYKUMH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-23(3)24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)
SMILES (Click to copy)
C(C(C)CC(C)CCCCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
3139
CHEBI ID
180079
PubChem CID
5312321

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.38
Molar Refractivity 114.74

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Created at
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Updated at
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