Structure Database (LMSD)

Common Name
Melissic acid
Systematic Name
Triacontanoic acid
Synonyms
  • C30:0
  • Myricic acid
LM ID
LMFA01010030
Status
Active
Exact Mass
Calculate m/z
452.45933
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)
VHOCUJPBKOZGJD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O2/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/h2-29H2,1H3,(H,31,32)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCCCC

References

Other Databases

Wikipedia
HMDB ID
CHEBI ID
LIPIDBANK ID
DFA0030
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 542.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.01
Molar Refractivity 142.59

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
9th Jun 2022