Structure Database (LMSD)

Common Name
hentriacontanoic acid
Systematic Name
hentriacontanoic acid
Synonyms
  • C31:0
LM ID
LMFA01010031
Status
Active
Exact Mass
Calculate m/z
466.47498
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)
ONLMUMPTRGEPCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H62O2/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/h2-30H2,1H3,(H,32,33)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCC(O)=O)CCCCCCCCCCC

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0031
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 559.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.40
Molar Refractivity 147.20

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022