Structure Database (LMSD)

Common Name
Hexatriacontylic acid
Systematic Name
hexatriacontanoic acid
Synonyms
  • C36:0
LM ID
LMFA01010036
Status
Active
Exact Mass
Calculate m/z
536.55323
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)
LRKATBAZQAWAGV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C36H72O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h2-35H2,1H3,(H,37,38)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCCC

References

Other Databases

Wikipedia
CHEBI ID
LIPIDBANK ID
DFA0036
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 0
Aromatic Rings 0
Rotatable Bonds 34
Van der Waals Molecular Volume 646.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 13.35
Molar Refractivity 170.29

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