bmse000426 Trimethylamine N-oxide at BMRB

Trimethylamine N-oxide

N,N-dimethylmethanamine oxide (IUPAC); TRIMETHYLAMINE N-OXIDE; N(CH3)3O; Trimethylamine N-oxide; TRIMENTHLAMINE-N-O; trimethylamine oxide; Trimethylamine oxide; trimethylamine-N-oxide; N,N-dimethylmethanamine oxide; TMANO; Triox

Molecular Formula: C3 H9 N O
Natural Isotopic Abundance Mass: 75.10966
Mono-Isotopic Molecular Masses: C12N14: 75.0684139162; C13N14: 78.0784784296; C12N15: 76.0654488094; C13N15: 79.0755133228

Trimethylamine N-oxide

InCHi String:
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3

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

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
N,N-dimethylmethanamine oxide

PubChem Substance (SID):   85165215   7995667   12055703
PubChem Compound (CID):   1145
KEGG: Compound ID   C01104
CAS Registry IDs:   1184-78-7
PDB Chemical Component   TMO
Miscellaneous Databases and IDs:   Sigma-Aldrich 317594_ALDRICH   ChEBI CHEBI:15724   ChemIDplus 001184787   ChemSpider 13866750   EINECS 214-675-6   CambridgeSoft Corporation 9873   ZINC ZINC00895494   UM-BBD c1219   ChemDB 6529537   NIST Chemistry WebBook 1874971543

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.