Structure Database (LMSD)

O OH
Common Name
22-methyl-tricosanoic acid
Systematic Name
22-methyl-tricosanoic acid
Synonyms
LM ID
LMFA01020021
Formula
C24H48O2
Exact Mass
Calculate m/z
368.36543
Sum Composition
FA 24:0
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)
KGHVQLDYCDULEN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-23(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCC(C)C

References

Other Databases

CHEBI ID
84903
LIPIDBANK ID
DFA0246
PubChem CID
5282605

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 438.70
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.53
Molar Refractivity 114.81

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Created at
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Updated at
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