Structure Database (LMSD)

Common Name
L-palmitoylcarnitine
Systematic Name
(3S)-3-hexadecanoyloxy-4-(trimethylammonio)butanoate
Synonyms
  • (3S)-3-palmitoyloxy-4-(trimethylammonio)butanoate
  • (S)-palmitoylcarnitine
LM ID
LMFA07070079
Status
Active
Exact Mass
Calculate m/z
399.334859
Formula
C23H45NO4
Abbrev
CAR 16:0
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Main

Classification

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

String Representations

InChiKey (Click to copy)
XOMRRQXKHMYMOC-NRFANRHFSA-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-/m0/s1
SMILES (Click to copy)
[C@H](CC([O-])=O)(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

References

Other Databases

CHEBI ID
17490
PubChem CID
16902

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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Created at
-
Updated at
25th Apr 2022