Mrv0541 05221414162D          

 26 27  0  0  0  0            999 V2000
   11.3400   -9.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5915   -8.3815    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9323   -7.8945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611   -8.3762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5138   -9.1616    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5883   -7.5526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3018   -7.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8715   -7.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2984   -6.3120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0186   -7.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -6.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0284   -9.8264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5816   -5.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5782   -5.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2503   -7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5325   -7.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1179   -7.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8399   -8.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4196   -8.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4099   -7.5940    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.6919   -7.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8301   -7.5771    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2025   -6.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6149   -6.7781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3053   -8.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5400   -8.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 15  1  1  0  0  0
  1  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5 12  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 22  1  0  0  0  0
 22 17  1  0  0  0  0
 17 20  1  0  0  0  0
 22 18  2  0  0  0  0
 20 19  2  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
  2 25  1  6  0  0  0
  4 26  1  6  0  0  0
M  END
> <ID>
CHEBI:28846

> <NAME>
dCDP

> <DEFINITION>
A 2'-deoxycytidine phosphate that is the 2'- deoxy derivative of cytidine 5'-diphosphate (CDP).

> <STAR>
3

> <SECONDARY_ID>
CHEBI:49966; CHEBI:19241; CHEBI:10492

> <SYNONYM>
deoxycytidine diphosphate; dCDP; D-1beta-Ribofuranosylcytosine diphosphate; 2'-Deoxycytidine diphosphate; 2'-Deoxycytidine 5'-diphosphate

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

> <FORMULA>
C9H15N3O10P2

> <MASS>
387.17700

> <MONOISOTOPIC_MASS>
387.02327

> <CHARGE>
0

> <SMILES>
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(O)=O)O2)c(=O)n1

> <INCHI>
InChI=1S/C9H15N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

> <INCHIKEY>
FTDHDKPUHBLBTL-SHYZEUOFSA-N

> <CAS_REGISTRY_NUMBER>
800-73-7

> <REAXYS_REGISTRY_NUMBER>
60648

> <CHEMIDPLUS>
800-73-7

> <KEGG_COMPOUND_ACCESSION>
C00705

> <METACYC_ACCESSION>
DCDP

> <PDBECHEM_ACCESSION>
YYY

> <WIKIPEDIA_ACCESSION>
Deoxycytidine_diphosphate

> <PUBMED_CITATION>
22212996; 22817898; 2990252

$$$$