Structure Database (LMSD)

Common Name
Montanic acid
Systematic Name
octacosanoic acid
Synonyms
  • C28:0
LM ID
LMFA01010028
Formula
Exact Mass
Calculate m/z
424.42803
Sum Composition
Status
Active


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
DFA0028
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

Reactions

Filter by species:
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022