bmse000464 Acetyl-L-carnitine at BMRB

Acetyl-L-carnitine

acetylcarnitine; (-)O-acetylcarnitine; acetyl-L-carnitine; levocarnitine acetyl; O-acetylcarnitine; (-)-acetylcarnitine; ALCAR; ALC; R-acetylcarnitine; Acetylcarnitine; (R)-Acetylcarnitine

Molecular Formula: C9 H17 N O4
Natural Isotopic Abundance Mass: 203.23558
Mono-Isotopic Molecular Masses: C12N14: 203.1157580393; C13N14: 212.1459515795; C12N15: 204.1127929325; C13N15: 213.1429864727

Acetyl-L-carnitine

InCHi String:
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1

canonical SMILES:
CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
isomeric SMILES:
CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(3R)-3-acetyloxy-4-(trimethylazaniumyl)butanoate

PUBCHEM iupac TRADITIONAL NAME
(3R)-3-acetoxy-4-(trimethylammonio)butyrate

PUBCHEM iupac OPENEYE NAME
(3R)-3-acetoxy-4-(trimethylammonio)butanoate

PUBCHEM iupac CAS NAME
(3R)-3-acetyloxy-4-(trimethylammonio)butanoate

PubChem Substance (SID):   85165251   85164971   10486826
PubChem Compound (CID):   7045767
KEGG: Compound ID   n/a
CAS Registry IDs:   14992-62-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Biological Magnetic Resonance Data Bank (BMRB) bmse000142   NIST 1927145859

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.