Biological Magnetic Resonance Data Bank

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


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Molecular Formula: C7H15NO3

Natural Isotopic Abundance Mass: 161.1989000000

Mono-Isotopic Molecular Masses:

  • C12N14: 161.105193353
  • C13N14: 168.128677218
  • C12N15: 162.102228246
  • C13N15: 169.1257121108

InChI string: InChI=1S/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
PDB Compound ID: 152

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,