Structure Database (LMSD)

Common Name
Ceroplastic acid
Systematic Name
pentatriacontanoic acid
Synonyms
  • C35:0
LM ID
LMFA01010035
Status
Active
Exact Mass
Calculate m/z
522.53758
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)
HVUCKZJUWZBJDP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H70O2/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/h2-34H2,1H3,(H,36,37)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCCCC

References

Other Databases

Wikipedia
CHEBI ID
LIPIDBANK ID
DFA0035
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 629.00
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 12.96
Molar Refractivity 165.67

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