DCT

2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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48 entries where DCT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	4
Bond Count	44
Aromatic Bond Count	0

2D diagram of DCT

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Chemical Component Summary
Name	2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
Formula	C₉ H₁₆ N₃ O₁₂ P₃
Molecular Weight	451.158
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
SMILES	OpenEye OEToolkits	1.5.0	C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
Canonical SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[C@H]2CC[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O2
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N
InChI	InChI	1.03	InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
InChIKey	InChI	1.03	ARLKCWCREKRROD-POYBYMJQSA-N

Related Resource References

Resource Name	Reference
PubChem	119119
ChEMBL	CHEMBL1201384

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