Biological Magnetic Resonance Data Bank

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

Guanidineacetic Acid

Graphical representations:


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Molecular Formula: C3H7N3O2

Natural Isotopic Abundance Mass: 117.10658

Mono-Isotopic Molecular Masses:

  • C12N14: 117.0538264845
  • C13N14: 120.0638909979
  • C12N15: 120.0449311641
  • C13N15: 123.0549956775

InChI string: InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)

PubChem Compound (CID): 763
CAS Registry number: 352-97-6
Sigma-Aldrich: G11608_ALDRICH
ChEBI: CHEBI:16344
ChemIDplus: 000352976
DrugBank: DB02751
ChemSpider: 13817642
MMDB: 31087.3
EINECS: 206-529-5
KEGG Compound ID: C00581
ChemDB: 4733992
DTP/NCI: 227847
NIST: 3892656274
PDB Compound ID: NMG

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,