BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

L(-)-Carnitine

L(-)-Carnitine bmse000211 - Data bmst000266 - Theory

L_carnitine synonyms

Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, L-; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (2R)-; L-Carnitine; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, (R)-; (R)-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide; gamma-Trimethyl-beta-hydroxybutyrobetaine; Vitamin BT; (3-Carboxy-2-hydroxypropyl)trimethyl-ammonium hydroxide, inner salt; 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, inner salt, (R)-; Levocarnitine [USAN:INN]; 3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt

Wikipedia:

Graphical representations:

L_carnitine

View large 3D structure

Molecular Formula: C7H15NO3

Natural Isotopic Abundance Mass: 161.1989000000

Mono-Isotopic Molecular Masses:

  • C12N14: 161.105193353
  • C13N14: 168.128677218
  • C12N15: 162.102228246
  • C13N15: 168.128677218

InChI string: InChI=1/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/t6-/m1/s1

IUPAC: (3R)-3-hydroxy-4-trimethylammonio-butanoate

PubChem Compound (CID): 10917
KEGG Compound ID: C13951
CAS Registry number: 541-15-1 7634-98-2
EINECS: 208-768-0

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)