Structure Database (LMSD)

Common Name
nonacosanoic acid
Systematic Name
nonacosanoic acid
Synonyms
  • C29:0
LM ID
LMFA01010029
Status
Active
Exact Mass
Calculate m/z
438.44368
Formula
Abbrev



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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)
IHEJEKZAKSNRLY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H58O2/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)31/h2-28H2,1H3,(H,30,31)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCC

References

Other Databases

HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0029
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 27
Van der Waals Molecular Volume 525.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 10.62
Molar Refractivity 137.97

Reactions

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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.
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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022