ChEBI
  Marvin  03271210052D          

 17 18  0  0  1  0            999 V2000
    5.8674   -3.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8674   -4.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391   -3.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5573   -4.7524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5573   -3.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4108   -4.3308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4108   -3.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391   -4.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855   -4.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2855   -3.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1391   -5.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017   -3.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0138   -4.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7230   -4.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7230   -3.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0138   -5.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4512   -4.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  2  1  0  0  0  0
  8  2  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
 12  7  1  0  0  0  0
 11  8  2  0  0  0  0
 10  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
> <ID>
CHEBI:64277

> <NAME>
7,8-dihydrobiopterin

> <DEFINITION>
A dihydropterin that is biopterin dihydrogenated at positions 7 and 8.

> <STAR>
3

> <SYNONYM>
quinonoid dihydro-(6H)-biopterin

> <IUPAC_NAME>
2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydropteridin-4(1H)-one

> <FORMULA>
C9H13N5O3

> <MASS>
239.23120

> <MONOISOTOPIC_MASS>
239.10184

> <CHARGE>
0

> <SMILES>
CC(O)C(O)C1=Nc2c(NC1)[nH]c(N)nc2=O

> <INCHI>
InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)

> <INCHIKEY>
FEMXZDUTFRTWPE-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C02953

> <METACYC_ACCESSION>
CPD0-2050

$$$$