Basic information
- CAS
2364-66-1- Standard SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C- InChIKey
XOMRRQXKHMYMOC-NRFANRHFSA-N- Molecular formula
- C23H45NO4
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.33485892
Names & identifiers
- Preferred name
- 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxohexadecyl)oxy)-, inner salt, (2S)-
- IUPAC
- (3S)-3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoate
Names & synonyms
2364-66-1DTXSID6011268471-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-, inner salt, (2S)-1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxohexadecyl)oxy)-, inner salt, (2S)-RefChem:1056880DTXCID901558358(+)-Palmitoylcarnitine(3S)-3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoateD-PalmitylcarnitinePalmitoyl d-carnitineCHEMBL2216787(3S)-3-hexadecanoyloxy-4-(trimethylammonio)butanoate
Show more names
(+)-PalmitylcarnitinePalmitoyl-L-carnitine-d9 (chloride)Palmitoyl-D(+)-carnitin [German]Palmitoyl-D(+)-carnitinD-palmitoylcarnitine(S)-palmitoylcarnitine(3S)-3-palmitoyloxy-4-(trimethylammonio)butanoateAmmonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, palmitate, D-
Database identifiers
- CAS
2364-66-1- PubChem CID
- 16902
- DTXSID
DTXSID601126847- ChEMBL
CHEMBL2216787- Nikkaji
- J513.377G
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl carnitines [FA0707]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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