ChEBI


 17 18  0  0  0  0  0  0  0  0  1 V2000
   11.1232  -19.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1232  -18.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799  -19.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4664  -19.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799  -17.8721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4664  -17.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4366  -19.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097  -19.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4366  -18.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097  -18.2512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4664  -17.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1530  -19.3887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0934  -17.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7501  -18.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0934  -17.1137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4068  -17.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7501  -19.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <ID>
CHEBI:17248

> <NAME>
6-lactoyl-5,6,7,8-tetrahydropterin

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12222; CHEBI:2207; CHEBI:20738

> <SYNONYM>
6-Lactoyltetrahydropterin; 6-Lactoyl-5,6,7,8-tetrahydropterin; 6-1'-Oxo-2'-hydroxypropyl tetrahydropterin; 2-amino-6-lactoyl-5,6,7,8-tetrahydropteridin-4(3H)-one

> <IUPAC_NAME>
2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydropteridin-4(3H)-one

> <FORMULA>
C9H13N5O3

> <MASS>
239.23142

> <MONOISOTOPIC_MASS>
239.10184

> <CHARGE>
0

> <SMILES>
CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1

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

> <INCHIKEY>
HKCYZTKHPLJZDR-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
33405-80-0

> <CHEMIDPLUS>
33405-80-0

> <KEGG_COMPOUND_ACCESSION>
C04244

$$$$