Marvin  12100711192D          

 20 20  0  0  0  0            999 V2000
    0.0625    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500    0.7448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7625    0.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4750    0.7448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8875    0.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6049    1.5293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3194    1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7299    1.5293    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4444    1.9418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1589    1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8733    1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5878    1.5293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3023    1.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168    1.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339    1.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4628    1.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484    1.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7484    1.9418    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7484    2.7668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1589    0.7043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  6  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  2  3  1  6  0  0  0
  4  5  1  6  0  0  0
  6  7  1  1  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 20  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 18  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <ID>
CHEBI:18413

> <NAME>
2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine

> <STAR>
3

> <SECONDARY_ID>
CHEBI:971; CHEBI:11474

> <SYNONYM>
5'-Phosphoribosylformylglycinamidine; 5'-Phosphoribosyl-N-formylglycinamidine; 2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine; 2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine; 1-(5'-Phosphoribosyl)-N-formylglycinamidine

> <IUPAC_NAME>
N-[2-(formamido)ethanimidoyl]-5-O-phosphono-D-ribofuranosylamine; 1-deoxy-1-[2-(formamido)acetimidamido]-D-ribofuranose 5-(dihydrogen phosphate)

> <FORMULA>
C8H16N3O8P

> <MASS>
313.20182

> <MONOISOTOPIC_MASS>
313.06750

> <CHARGE>
0

> <SMILES>
O[C@H]1[C@@H](O)C(NC(=N)CNC=O)O[C@@H]1COP(O)(O)=O

> <INCHI>
InChI=1S/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8?/m1/s1

> <INCHIKEY>
PMCOGCVKOAOZQM-ZRTZXPPTSA-N

> <KEGG_COMPOUND_ACCESSION>
C04640

$$$$