Marvin  03140617442D          
 
  5  4  0  0  0  0            999 V2000
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:28306

> <NAME>
semicarbazide

> <DEFINITION>
A monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9102; CHEBI:26644

> <SYNONYM>
Semikarbazid; Semicarbazide; Hydrazinecarboxamide; carbazamide; carbamylhydrazine; Carbamoylhydrazine; Carbamidsaeurehydrazid; Aminourea; Aminoharnstoff

> <IUPAC_NAME>
hydrazinecarboxamide

> <FORMULA>
CH5N3O

> <MASS>
75.07002

> <MONOISOTOPIC_MASS>
75.04326

> <CHARGE>
0

> <SMILES>
NNC(N)=O

> <INCHI>
InChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)

> <INCHIKEY>
DUIOPKIIICUYRZ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
506319

> <CAS_REGISTRY_NUMBER>
57-56-7

> <GMELIN_REGISTRY_NUMBER>
100758

> <REAXYS_REGISTRY_NUMBER>
506319

> <CHEMIDPLUS>
57-56-7

> <KEGG_COMPOUND_ACCESSION>
C02077

> <METACYC_ACCESSION>
SEMICARBAZIDE

> <NIST_CHEMISTRY_WEBBOOK>
57-56-7

> <WIKIPEDIA_ACCESSION>
Semicarbazide

> <PUBMED_CITATION>
11958526; 17499072; 23194563; 23683401

$$$$