ChEBI
  Marvin  08240917102D          

 26 28  0  0  1  0            999 V2000
    7.7048  -16.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048  -17.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327  -18.0946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605  -17.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605  -16.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327  -16.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9490  -16.5783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4342  -17.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9490  -17.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3433  -20.2176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6162  -19.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9490  -18.9438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2819  -19.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5244  -20.2176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8285  -20.9151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327  -15.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9410  -20.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2266  -20.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5121  -20.8010    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976  -20.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0832  -20.8010    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.3687  -20.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5121  -21.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0832  -21.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696  -20.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2986  -20.0041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
 16  6  2  0  0  0  0
  7  5  1  0  0  0  0
  4  5  2  0  0  0  0
  9  4  1  0  0  0  0
 12  9  1  1  0  0  0
  8  9  1  0  0  0  0
  7  8  2  0  0  0  0
 11 10  1  0  0  0  0
 14 10  1  0  0  0  0
 10 15  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 19 26  1  0  0  0  0
M  END
> <ID>
CHEBI:28823

> <NAME>
2'-deoxyinosine-5'-diphosphate

> <DEFINITION>
A deoxyinosine phosphate compound having a diphosphate group at the 5'-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10498; CHEBI:19249

> <SYNONYM>
dIDP; 2'-Deoxyinosine-5'-diphosphate; 2'-Deoxyinosine 5'-diphosphate

> <IUPAC_NAME>
2'-deoxyinosine 5'-(trihydrogen diphosphate)

> <FORMULA>
C10H14N4O10P2

> <MASS>
412.18650

> <MONOISOTOPIC_MASS>
412.01852

> <CHARGE>
0

> <SMILES>
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)OP(O)(O)=O)n1cnc2c1nc[nH]c2=O

> <INCHI>
InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1

> <INCHIKEY>
BKUSIKGSPSFQAC-RRKCRQDMSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
7397772

> <KEGG_COMPOUND_ACCESSION>
C01344

$$$$