Structure Database (LMSD)

Common Name
Palmitoylcarnitine
Systematic Name
O-hexadecanoyl-R-carnitine
Synonyms
  • L-Palmitoylcarnitine
LM ID
LMFA07070004
Formula
C23H45NO4
Exact Mass
Calculate m/z
399.334859
Sum Composition
CAR 16:0
Status
Active
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View ion mobility data

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acyl carnitines [FA0707]

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

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

Other Databases

Wikipedia
Palmitoylcarnitine
KEGG ID
C02990
HMDB ID
HMDB0000222
CHEBI ID
17490
PubChem CID
11953816
SwissLipids ID
SLM:000001044

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

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Created at
-
Updated at
25th Apr 2022