bmse000142 (+-)-Acetylcarnitine at BMRB

(+-)-Acetylcarnitine

DL-O-Acetylcarnitine; Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, acetate, DL-; Acetyl-DL-carnitine; 1-Propanaminium, 2-(acetoxy)-3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt, (+-)- (9CI)

Molecular Formula: C9 H17 N O4
Natural Isotopic Abundance Mass: 203.2355800000
Mono-Isotopic Molecular Masses: C12N14: 203.115758039; C13N14: 212.14595158; C12N15: 204.112792932; C13N15: 213.1429864727

(+-)-Acetylcarnitine

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

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

IUPAC: IUPAC systematic
3-acetyloxy-4-trimethylammonio-butanoate

IUPAC traditional: IUPAC cas: IUPAC openeye
3-acetoxy-4-trimethylammonio-butanoate

PubChem Substance (SID):   85164971   697490
PubChem Compound (CID):   1
KEGG: Compound ID   n/a
CAS Registry IDs:   870-77-9
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.