Structure Database (LMSD)

Common Name
Psyllic acid
Systematic Name
tritriacontanoic acid
Synonyms
  • Ceromelissic acid
  • C33:0
LM ID
LMFA01010033
Status
Active
Exact Mass
Calculate m/z
494.50628
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)
HQRWEDFDJHDPJC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O2/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/h2-32H2,1H3,(H,34,35)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCCCC

References

Other Databases

Wikipedia
LIPIDBANK ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 594.40
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 12.18
Molar Refractivity 156.44

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Updated at
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