Marvin  05241017232D          

 23 24  0  0  1  0            999 V2000
   12.0570  -12.2990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0570  -11.4740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3896  -12.7839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7245  -12.7839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7715  -11.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6445  -13.5685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4695  -13.5685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.5091  -12.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9544  -14.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9338  -14.0224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482  -15.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482  -13.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6482  -14.4349    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.3627  -14.0224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1596  -14.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4860   -9.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7715  -10.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4860  -11.4740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2004  -11.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2004  -10.2365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4860   -8.9990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9149  -11.4740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0570   -9.8240    0.0000 N   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
  6 15  1  1  0  0  0
  7  9  1  6  0  0  0
  6  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
 15 14  1  0  0  0  0
 17  5  2  0  0  0  0
  5 18  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
> <ID>
CHEBI:18337

> <NAME>
5-amino-6-(5-phospho-beta-D-ribosylamino)uracil

> <DEFINITION>
An N-glycosyl compound that consists of 5,6-diaminouracil in which one of the hydrogens on the 6-amino function is substituted by a 5-phospho-?-D-ribosyl residue.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12108; CHEBI:2032; CHEBI:20546; CHEBI:59550

> <SYNONYM>
5-Amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate; 5-Amino-6-(5-phosphoribosylamino)uracil; 5-Amino-6-(5'-phosphoribosylamino)uracil

> <IUPAC_NAME>
N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-beta-D-ribofuranosylamine 5-(dihydrogen phosphate); N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine

> <FORMULA>
C9H15N4O9P

> <MASS>
354.21060

> <MONOISOTOPIC_MASS>
354.05767

> <CHARGE>
0

> <SMILES>
Nc1c(N[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)[nH]c(=O)[nH]c1=O

> <INCHI>
InChI=1S/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)/t2-,4-,5-,8-/m1/s1

> <INCHIKEY>
LZEXYCAGPMYXLX-UMMCILCDSA-N

> <KEGG_COMPOUND_ACCESSION>
C01268

> <KNAPSACK_ACCESSION>
C00019665

$$$$