Structure Database (LMSD)

Common Name
Palmitoylcarnitine
Systematic Name
O-hexadecanoyl-R-carnitine
Synonyms
  • L-Palmitoylcarnitine
LM ID
LMFA07070004
Status
Active
Exact Mass
Calculate m/z
399.334859
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)
XOMRRQXKHMYMOC-OAQYLSRUSA-N
InChi (Click to copy)
InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1
SMILES (Click to copy)
O=C(O[C@](CC([O-])=O)(C[N+](C)(C)C)[H])CCCCCCCCCCCCCCC

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 447.34
Topological Polar Surface Area 66.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.80
Molar Refractivity 114.40

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022