Structure Database (LMSD)

Common Name
Heneicosylic acid
Systematic Name
Heneicosanoic acid
Synonyms
  • Henicosanoic acid
  • C21:0
LM ID
LMFA01010021
Formula
Exact Mass
Calculate m/z
326.31848
Sum Composition
Status
Active


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
DFA0021
PubChem CID
PlantFA ID
SwissLipids ID
Cayman ID
PDB 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

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022