Biological Magnetic Resonance Data Bank

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


Graphical representations:

(+-)-Acetylcarnitine image

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

InCHi String:

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

IUPAC: IUPAC systematic

IUPAC traditional: IUPAC cas: IUPAC openeye

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.