Structure Database (LMSD)

Common Name
Heneicosylic acid
Systematic Name
Heneicosanoic acid
Synonyms
  • Henicosanoic acid
  • C21:0
LM ID
LMFA01010021
Status
Active
Exact Mass
Calculate m/z
326.31848
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)
CKDDRHZIAZRDBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCCC

References

Other Databases

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

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 386.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 7.50
Molar Refractivity 101.03

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Created at
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Updated at
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