Structure Database (LMSD)

O OH
Common Name
Isopentacosanoic acid
Systematic Name
23-methyl-tetracosanoic acid
Synonyms
LM ID
LMFA01020023
Formula
C25H50O2
Exact Mass
Calculate m/z
382.38108
Sum Composition
FA 25:0
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)
MLLNAEIUHLSUPB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O2/c1-24(2)22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCC(C)C

References

Other Databases

CHEBI ID
165371
LIPIDBANK ID
DFA0248
PubChem CID
5282607

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 456.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 8.92
Molar Refractivity 119.43

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Created at
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Updated at
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