ChEBI


 18 18  0  0  1  0  0  0  0  0  1 V2000
   11.8062  -14.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8829  -13.8787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2162  -15.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9582  -14.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5462  -15.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2234  -14.2515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3271  -17.0026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4335  -17.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5417  -14.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0016  -12.5344    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2662  -12.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7371  -12.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137  -11.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5896  -13.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4787  -12.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6047  -12.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7833  -12.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9480  -11.5647    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  6  0  0  0
  3  8  1  6  0  0  0
  1  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14 10  1  0  0  0  0
  9 11  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <ID>
CHEBI:18349

> <NAME>
N(1)-(5-phospho-D-ribosyl)glycinamide

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12623; CHEBI:1983; CHEBI:20499

> <SYNONYM>
N1-(5-Phospho-D-ribosyl)glycinamide; N-glycyl-5-O-phosphono-D-ribofuranosylamine; Glycineamideribotide; Glycineamide ribonucleotide; Glycinamide ribonucleotide; GAR; 5'-Phosphoribosylglycineamide; 5'-Phosphoribosylglycinamide

> <IUPAC_NAME>
N-glycyl-D-ribofuranosylamine 5-(dihydrogen phosphate)

> <FORMULA>
C7H15N2O8P

> <MASS>
286.17644

> <MONOISOTOPIC_MASS>
286.05660

> <CHARGE>
0

> <SMILES>
NCC(=O)NC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI>
InChI=1S/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)/t3-,5-,6-,7?/m1/s1

> <INCHIKEY>
OBQMLSFOUZUIOB-HJZCUYRDSA-N

> <DRUGBANK_ACCESSION>
DB02236

> <KEGG_COMPOUND_ACCESSION>
C03838

$$$$