Structure Database (LMSD)

Common Name
Isomontanic acid
Systematic Name
26-methyl-heptacosanoic acid
Synonyms
LM ID
LMFA01020026
Formula
C28H56O2
Exact Mass
Calculate m/z
424.42803
Sum Composition
FA 28:0
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)
GCUBDUZUXAQLEY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(29)30/h27H,3-26H2,1-2H3,(H,29,30)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(C)C

References

Other Databases

CHEBI ID
84907
LIPIDBANK ID
DFA0251
PubChem CID
5282610

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 507.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.09
Molar Refractivity 133.28

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Created at
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Updated at
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