Structure Database (LMSD)

O OH
Common Name
3,15-dimethyl-docosanoic acid
Systematic Name
3,15-dimethyl-docosanoic acid
Synonyms
LM ID
LMFA01020231
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)
OIQLVWBPMHLONE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H48O2/c1-4-5-6-12-15-18-22(2)19-16-13-10-8-7-9-11-14-17-20-23(3)21-24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)
SMILES (Click to copy)
C(CC(C)CCCCCCCCCCCC(C)CCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
3141
CHEBI ID
180080
PubChem CID
5312323

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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