Marvin  05251010092D          

 22 24  0  0  1  0            999 V2000
   22.6226   -6.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3110   -6.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0606   -5.6330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9924   -6.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.2098   -5.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7137   -7.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1408   -7.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4524   -8.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0667   -6.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1991   -6.6387    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9241   -7.4080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.4152   -8.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1071   -7.4177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.6187   -8.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8398   -6.6413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5282   -6.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0705   -6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4567   -6.9117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7422   -6.4992    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.7422   -5.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0277   -6.9117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5287   -7.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  1  0  0  0  0
 10  4  1  1  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 11 10  1  0  0  0  0
 16 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 13 14  1  6  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 15 17  1  1  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <ID>
CHEBI:45262

> <NAME>
6-deoxyinosine 5'-phosphate

> <DEFINITION>
The 5'-monophosphate of 6-deoxyinosine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44670; CHEBI:45259; CHEBI:252762

> <SYNONYM>
PURINE RIBOSIDE-5'-MONOPHOSPHATE; Phosphoric acid mono-((R)-3-hydroxy-4-(S)-hydroxy-5-(4R,6R)-purin-9-yl-tetrahydro-furan-2-ylmethyl) ester; 6-deoxyinosinic acid

> <IUPAC_NAME>
9-(beta-D-ribofuranosyl)-9H-purine 5'-(dihydrogen phosphate); 9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine

> <FORMULA>
C10H13N4O7P

> <MASS>
332.20660

> <MONOISOTOPIC_MASS>
332.05219

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2cncnc12

> <INCHI>
InChI=1S/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1

> <INCHIKEY>
MCWDCZIDTUQRHK-FDDDBJFASA-N

> <DRUGBANK_ACCESSION>
DB03726

> <KEGG_COMPOUND_ACCESSION>
C05325

> <PDBECHEM_ACCESSION>
P5P

$$$$