Ketcher 07272110162D 1   1.00000     0.00000     0

 28 29  0     1  0            999 V2000
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    3.7835    1.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
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  4  9  2  0     0  0
  5 10  1  0     0  0
  6 11  1  0     0  0
  7 12  2  0     0  0
 10 13  1  1     0  0
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 12 15  1  0     0  0
 13 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
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 18 21  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
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  9 12  1  0     0  0
 10 11  1  0     0  0
M  END
> <ID>
CHEBI:16311

> <NAME>
dCTP

> <DEFINITION>
A 2'-deoxycytidine phosphate having cytosine as the nucleobase.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19243; CHEBI:41805; CHEBI:10494; CHEBI:14072

> <SYNONYM>
deoxycytidine-triphosphate; deoxycytidine triphosphate; deoxycytidine 5'-triphosphate; deoxy-CTP; dCTP; 2'-deoxycytidine triphosphate; 2'-deoxycytidine 5'-triphosphate; 2'-deoxy-CTP

> <IUPAC_NAME>
2'-deoxycytidine 5'-(tetrahydrogen triphosphate)

> <FORMULA>
C9H16N3O13P3

> <MASS>
467.156

> <MONOISOTOPIC_MASS>
466.98960

> <CHARGE>
0

> <SMILES>
NC1=NC(=O)N(C=C1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1

> <INCHI>
InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

> <INCHIKEY>
RGWHQCVHVJXOKC-SHYZEUOFSA-N

> <CAS_REGISTRY_NUMBER>
2056-98-6

> <CHEMIDPLUS>
2056-98-6

> <DRUGBANK_ACCESSION>
DB03258

> <KEGG_COMPOUND_ACCESSION>
C00458

> <PDBECHEM_ACCESSION>
DCP

> <WIKIPEDIA_ACCESSION>
Deoxycytidine_triphosphate

> <PUBMED_CITATION>
11200258; 15787173; 15935150; 16061253; 16061997; 16120835; 19328748; 22212996; 29989586; 31377845; 32800127; 32926292; 34110794; 6601514; 761229; 7877593

$$$$