BMRB

Biological Magnetic Resonance Data Bank


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

Sarcosine

Graphical representations:

Sarcosine image

View large 3D structure

Molecular Formula: C3 H7 N O2

Natural Isotopic Abundance Mass: 89.0931800000

Mono-Isotopic Molecular Masses:

  • C12N14: 89.0476784741
  • C13N14: 92.0577429875
  • C12N15: 90.0447133673
  • C13N15: 93.0547778807

InChI String: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)

isomeric and canonical SMILES: CNCC(=O)O

IUPAC
2-methylaminoacetic acid

IUPAC systematic
2-methylaminoethanoic acid

PubChem Substance (SID):   85164986   151009   3513
PubChem Compound (CID):   1088
KEGG: Compound ID   C00213
CAS Registry IDs:   107-97-1   4316-73-8   637-96-7
PDB Chemical Component   MGY   SAR
Miscellaneous Databases and IDs:   CHEBI 15611   EINECS 203-538-6   Beilstein Handbook Reference 4-04-00-02363

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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, https://www.nature.com/articles/sdata201773