Structure Database (LMSD)

Common Name
O-palmitoylcarnitine
Systematic Name
3-(hexadecanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms
  • 3-(hexadecanoyloxy)-4-(trimethylammonio)butanoate
  • O-hexadecanoylcarnitine
LM ID
LMFA07070098
Formula
C23H45NO4
Exact Mass
Calculate m/z
399.334859
Sum Composition
CAR 16:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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-UHFFFAOYSA-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
SMILES (Click to copy)
C(CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
73067
PubChem CID
461

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

Admin

Created at
-
Updated at
25th Apr 2022