Structure Database (LMSD)

Common Name
Isocerotic acid
Systematic Name
24-methyl-pentacosanoic acid
Synonyms
LM ID
LMFA01020024
Status
Active
Exact Mass
Calculate m/z
396.39673
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
VGANCIUXOAKSHS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H52O2/c1-25(2)23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26(27)28/h25H,3-24H2,1-2H3,(H,27,28)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCC(C)C

References

Other Databases

CHEBI ID
LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 473.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.31
Molar Refractivity 124.05

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Created at
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Updated at
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