Marvin  05130800102D          

 26 28  0  0  1  0            999 V2000
    2.8984    5.6343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    4.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839    4.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838    3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8983    3.1593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    4.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    3.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    3.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524    2.5320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1674    1.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6523    1.1971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4369    1.4521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1044    0.9671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.8578    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.4289    0.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 17 19  1  0  0  0  0
 19 18  2  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 23 22  2  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 26 17  1  0  0  0  0
M  END
> <ID>
CHEBI:16174

> <NAME>
dADP

> <DEFINITION>
A purine 2'-deoxyribonucleoside 5'-diphosphate having adenine as the nucleobase.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41890; CHEBI:19235; CHEBI:14067; CHEBI:10489

> <SYNONYM>
deoxyadenosine diphosphate; dADP; 2'-DEOXYADENOSINE-5'-DIPHOSPHATE; 2'-deoxyadenosine 5'-diphosphate; 2'-Deoxyadenosine 5'-diphosphate

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

> <FORMULA>
C10H15N5O9P2

> <MASS>
411.20192

> <MONOISOTOPIC_MASS>
411.03450

> <CHARGE>
0

> <SMILES>
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O1

> <INCHI>
InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

> <INCHIKEY>
DAEAPNUQQAICNR-RRKCRQDMSA-N

> <KEGG_COMPOUND_ACCESSION>
C00206

> <PDBECHEM_ACCESSION>
DAT

> <WIKIPEDIA_ACCESSION>
Deoxyadenosine_diphosphate

> <PUBMED_CITATION>
11947151; 1545776; 23721485; 5316336; 5316337; 5316338; 6980023

$$$$