bmse000074 D-Carnitine at BMRB

D-Carnitine

Carnitinum [INN-Latin]; 3-Hydroxy-4-trimethylammoniobutanoate; Carnitine; Carnitina [INN-Spanish]; gamma-Trimethyl-hydroxybutyrobetaine; (3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide inner salt

Molecular Formula: C7 H16 N O3 +
Natural Isotopic Abundance Mass: 162.20684
Mono-Isotopic Molecular Masses: C12N14: 162.1130183851; C13N14: 169.1365022497; C12N15: 163.1100532783; C13N15: 170.1335371429

D-Carnitine

InCHi String:
InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1

isomeric and canonical SMILES:
C[N+](C)(C)CC(CC(=O)[O-])O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
3-hydroxy-4-trimethylammonio-butanoate

PubChem Substance (SID):   85164920   213730   3770
PubChem Compound (CID):   288
KEGG: Compound ID   C00487
CAS Registry IDs:   461-06-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 17126

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.