ChEBI
  Marvin  01120915202D          

 22 23  0  0  1  0            999 V2000
   12.8591   -7.4140    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8949   -6.7539    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1815   -6.9189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6098   -8.1829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6182   -6.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1856   -6.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5143   -7.3999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7742   -8.1829    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0944   -8.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6182   -5.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1856   -5.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7385   -7.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3107   -8.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8949   -5.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3275   -5.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2469   -7.8108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0332   -5.5004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3204   -4.2715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4218   -7.8108    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.4253   -7.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4182   -8.6183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5721   -7.8037    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
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  1  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  7  8  1  0  0  0  0
 11 14  2  0  0  0  0
M  CHG  1   2   1
M  END
> <ID>
CHEBI:15763

> <NAME>
nicotinic acid D-ribonucleotide

> <DEFINITION>
A D-ribonucleotide having nicotinic acid as the nucleobase.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7561; CHEBI:12398; CHEBI:14652; CHEBI:14651; CHEBI:25532

> <SYNONYM>
Nicotinic acid ribonucleotide; Nicotinate ribonucleotide; Nicotinate D-ribonucleotide; beta-Nicotinate D-ribonucleotide

> <IUPAC_NAME>
3-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium

> <FORMULA>
C11H15NO9P

> <MASS>
336.21190

> <MONOISOTOPIC_MASS>
336.04789

> <CHARGE>
1

> <SMILES>
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)[n+]1cccc(c1)C(O)=O

> <INCHI>
InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1/t7-,8-,9-,10-/m1/s1

> <INCHIKEY>
JOUIQRNQJGXQDC-ZYUZMQFOSA-O

> <KEGG_COMPOUND_ACCESSION>
C01185

> <KNAPSACK_ACCESSION>
C00007447

> <PDBECHEM_ACCESSION>
NCN

$$$$