bmse000384 Guanidineacetic acid at BMRB

Guanidineacetic acid

Guanyl glycine; GUANIDOACETIC_ACID; Guanidine, (carboxymethyl)-; GLYCOCYAMINE; Glycine, N-(aminoiminomethyl)-; GLYCINE, N-AMIDINO-; glycocyamine; N-amidinoglycine; Betasyamine; N-(carbamimidoyl)glycine; Guanidoacetic acid

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

Guanidineacetic acid

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

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.