BMRB

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:

Guanidineacetic acid image

Molecular Formula: C3 H7 N3 O2

Natural Isotopic Abundance Mass: 117.10658

Mono-Isotopic Molecular Masses:

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

InCHi String:

canonical and isomeric SMILES: C(C(=O)O)N=C(N)N

PUBCHEM iupac NAME
2-(diaminomethylideneamino)acetic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-guanidinoacetic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(diaminomethylideneamino)ethanoic acid

PubChem Substance (SID):   85165178   46506215   2778
PubChem Compound (CID):   763
KEGG: Compound ID   C00581
CAS Registry IDs:   352-97-6
PDB Chemical Component   NMG
Miscellaneous Databases and IDs:   Sigma-Aldrich G11608_ALDRICH   ChEBI CHEBI:16344   ChemIDplus 000352976   DrugBank DB02751   ChemSpider 13817642   MMDB 31087.3   EINECS 206-529-5   ChemDB 4733992   DTP/NCI 227847   NIST 3892656274

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.