ChEBI


  6  6  0  0  0  0  0  0  0  0  1 V2000
    8.3969   -6.8586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -7.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4314   -6.1919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6621   -5.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3969   -5.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0724   -3.8668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
M  END
> <ID>
CHEBI:16607

> <NAME>
4-aminoimidazole

> <DEFINITION>
An  aminoimidazole  that is 1H-imidazole substituted by an amino group at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1788; CHEBI:2033; CHEBI:11963; CHEBI:28840; CHEBI:20543

> <SYNONYM>
5-Aminoimidazole; 4-aminoimidazole; 4-Aminoimidazole

> <IUPAC_NAME>
1H-imidazol-4-amine

> <FORMULA>
C3H5N3

> <MASS>
83.09202

> <MONOISOTOPIC_MASS>
83.04835

> <CHARGE>
0

> <SMILES>
Nc1c[nH]cn1

> <INCHI>
InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)

> <INCHIKEY>
QRZMXADUXZADTF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4919-03-3

> <REAXYS_REGISTRY_NUMBER>
1617

> <CHEMIDPLUS>
4919-03-3

> <KEGG_COMPOUND_ACCESSION>
C05239

> <METACYC_ACCESSION>
CPD-54

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