Structure Database (LMSD)

O OH
Common Name
(+)-24-methyl-hexacosanoic acid
Systematic Name
(+)-24-methyl-hexacosanoic acid
Synonyms
LM ID
LMFA01020025
Formula
C27H54O2
Exact Mass
Calculate m/z
410.41238
Sum Composition
FA 27:0
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)
QKVYEHVFHQOMSA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H54O2/c1-3-26(2)24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27(28)29/h26H,3-25H2,1-2H3,(H,28,29)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCC(CC)C

References

Other Databases

CHEBI ID
84884
LIPIDBANK ID
DFA0250
PubChem CID
5282609

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 490.60
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.70
Molar Refractivity 128.66

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Created at
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Updated at
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