Palmitoylcarnitine

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Systematic / IUPAC Name: 3-Carboxy-N,N,N-trimethyl-2-(palmitoyloxy)-1-propanaminium

ID: Reference2936

Other Names: (2-Hexadecanoyloxy-4-hydroxy-4-oxobutyl)-trimethylazanium;
(3-Carboxy-2-hexadecanoyloxypropyl)-trimethylazanium;
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-

Formula: C23H46NO4 +

Class: Endogenous Metabolites Personal Care Products/Cosmetics

Spectral Data

Palmitoylcarnitine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/27/2015 12:21:14 PM
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Identificators

InChI 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/p+1
InChI Key XOMRRQXKHMYMOC-UHFFFAOYSA-O
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
CAS 1935188
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Other Names (2-Hexadecanoyloxy-4-hydroxy-4-oxobutyl)-trimethylazanium;
(3-Carboxy-2-hexadecanoyloxypropyl)-trimethylazanium;
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-

In Other Databases

PubChem 462
Wikipedia Palmitoylcarnitine
ChEMBL CHEMBL1358827
ChemSpider 449
ChemIDPlus 001935188