Structure Database (LMSD)

Common Name
Montanic acid
Systematic Name
octacosanoic acid
Synonyms
  • C28:0
LM ID
LMFA01010028
Status
Active
Exact Mass
Calculate m/z
424.42803
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)
UTOPWMOLSKOLTQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 507.90
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.23
Molar Refractivity 133.35

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Updated at
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