ChEBI
  Marvin  09140513472D          

  9  9  0  0  0  0            999 V2000
    4.6694   -3.0160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3891   -2.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1089   -3.0159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090   -3.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893   -4.2684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -3.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   -1.7492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8289   -4.2395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9497   -4.2398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  2  0  0  0  0
  3  2  2  0  0  0  0
  7  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  8  4  1  0  0  0  0
  6  5  1  0  0  0  0
  9  6  1  0  0  0  0
M  END
> <ID>
CHEBI:27915

> <NAME>
melamine

> <DEFINITION>
A trimer of cyanamide, with a 1,3,5-triazine skeleton.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:25178; CHEBI:6724

> <SYNONYM>
Triaminotriazine; sym-triaminotriazine; s-Triazinetriamine; Melamine; Cyanurotriamine; Cyanurotriamide; Cyanuric triamide; Cyanuramide; 2,4,6-Triamino-s-triazine; 2,4,6-Triamino-1,3,5-triazine; 1,3,5-triazine-2,4,6-triamine

> <IUPAC_NAME>
1,3,5-triazine-2,4,6-triamine

> <FORMULA>
C3H6N6

> <MASS>
126.12018

> <MONOISOTOPIC_MASS>
126.06539

> <CHARGE>
0

> <SMILES>
Nc1nc(N)nc(N)n1

> <INCHI>
InChI=1S/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)

> <INCHIKEY>
JDSHMPZPIAZGSV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
124341

> <CAS_REGISTRY_NUMBER>
108-78-1

> <GMELIN_REGISTRY_NUMBER>
101433

> <REAXYS_REGISTRY_NUMBER>
124341

> <CHEMIDPLUS>
108-78-1

> <KEGG_COMPOUND_ACCESSION>
C08737

> <METACYC_ACCESSION>
CPD-7398

> <NIST_CHEMISTRY_WEBBOOK>
108-78-1

> <PDBECHEM_ACCESSION>
AX2

> <PUBMED_CITATION>
19193777; 19899757; 23752785; 24121226; 24182201; 24206822; 24297478; 24327168; 24339199; 24355167; 24397789; 24460139; 24507656; 24530299; 24533440; 24582682; 24607582; 24720965; 24725874; 24727351; 24730385; 24734554; 24742261; 24759748; 24767052; 24785124

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