ChEBI
  Marvin  09210614362D          

 23 24  0  0  1  0            999 V2000
   17.1580   -8.4205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1184   -7.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4850   -7.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9009   -9.2069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.8329   -8.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8272   -8.4205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.0767   -9.2069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3849   -9.8723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5513   -7.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8329   -8.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0445   -8.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5890   -9.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2658   -8.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5550   -6.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5513   -9.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8782   -7.3581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2658   -8.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8442   -6.3713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2695   -6.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0502   -7.3544    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   13.2298   -7.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0540   -6.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0465   -8.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  1  0  0  0
  7 12  1  6  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
  6  7  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <ID>
CHEBI:7091

> <NAME>
N-(5-phospho-beta-D-ribosyl)anthranilic acid

> <STAR>
3

> <SYNONYM>
NPRAT; N-(5-Phosphoribosyl)anthranilic acid; N-(5'-Phosphoribosyl)anthranilate

> <IUPAC_NAME>
N-(2-carboxyphenyl)-beta-D-ribofuranosylamine 5-(dihydrogen phosphate)

> <FORMULA>
C12H16NO9P

> <MASS>
349.23054

> <MONOISOTOPIC_MASS>
349.05627

> <CHARGE>
0

> <SMILES>
O[C@H]1[C@@H](O)[C@H](Nc2ccccc2C(O)=O)O[C@@H]1COP(O)(O)=O

> <INCHI>
InChI=1S/C12H16NO9P/c14-9-8(5-21-23(18,19)20)22-11(10(9)15)13-7-4-2-1-3-6(7)12(16)17/h1-4,8-11,13-15H,5H2,(H,16,17)(H2,18,19,20)/t8-,9-,10-,11-/m1/s1

> <INCHIKEY>
PMFMJXPRNJUYMB-GWOFURMSSA-N

> <CAS_REGISTRY_NUMBER>
4220-99-9

> <CHEMIDPLUS>
4220-99-9

> <KEGG_COMPOUND_ACCESSION>
C04302

> <KNAPSACK_ACCESSION>
C00007384

$$$$