Ketcher 09082109092D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
    9.6231   -3.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0872   -4.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0872   -6.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3552   -4.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3552   -6.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7570   -4.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6231   -6.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8910   -6.4139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4892   -4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4892   -5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6231   -4.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2212   -4.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2212   -5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7570   -5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0     0  0
  2 12  2  0     0  0
  3 13  2  0     0  0
  4  9  1  0     0  0
  4 12  1  0     0  0
  5 10  1  0     0  0
  5 13  1  0     0  0
  6 11  1  0     0  0
  6 14  1  0     0  0
  7 10  1  0     0  0
  7 14  2  0     0  0
  8 14  1  0     0  0
  9 10  2  0     0  0
  9 11  1  0     0  0
 12 13  1  0     0  0
M  END
> <ID>
CHEBI:178010

> <NAME>
leucopterin (keto form)

> <DEFINITION>
A member of the class of pterins that is 3,4,5,6,7,8-hexahydropteridine substituted by an amino group at position 2 and oxo groups at positions 4, 6 and 7. It is a pigment found in the wings of butterflies.

> <STAR>
3

> <SYNONYM>
leukopterin; leucopterin; leikopterin; 2-amino-5,8-dihydro-4,6,7(3H)-pteridinetrione

> <IUPAC_NAME>
2-amino-5,8-dihydropteridine-4,6,7(3H)-trione

> <FORMULA>
C6H5N5O3

> <MASS>
195.138

> <MONOISOTOPIC_MASS>
195.03924

> <CHARGE>
0

> <SMILES>
NC1=NC2=C(NC(=O)C(=O)N2)C(=O)N1

> <INCHI>
InChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14)

> <INCHIKEY>
SFLOGVVDXPCWGR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
492-11-5

> <REAXYS_REGISTRY_NUMBER>
211680

> <CHEMIDPLUS>
492-11-5

> <PUBMED_CITATION>
17669418; 23727871; 24302393; 24602308; 25698576; 34599; 7781036; 8034647; 8857673; 898829; 9860048

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