TTP

THYMIDINE-5'-TRIPHOSPHATE

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

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193 entries where TTP is found as a standalone ligand13 entries where TTP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	5
Bond Count	47
Aromatic Bond Count	0

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Chemical Component Summary
Name	THYMIDINE-5'-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
Formula	C₁₀ H₁₇ N₂ O₁₄ P₃
Molecular Weight	482.168
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
SMILES	CACTVS	3.341	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	NHVNXKFIZYSCEB-XLPZGREQSA-N

Drug Info: DrugBank

DrugBank ID	DB02452
Name	Thymidine 5'-triphosphate
Groups	experimental
Synonyms	dTTP pppdT Thymidine 5'-triphosphate 2'-deoxythymidine triphosphate 5'-TTP deoxy-TTP Thymidine-5'-triphosphate
Categories	Deoxyribonucleotides Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Pyrimidine Nucleotides Pyrimidines
CAS number	365-08-2

Drug Targets

Name	Target Sequence	Pharmacological Action
Thymidine kinase, cytosolic	MSCINLPTVLPGSPSKTRGQIQVILGPMFSGKSTELMRRVRRFQIAQYKC...	unknown
Anaerobic ribonucleoside-triphosphate reductase	MTIEKEIEGLIHKTNKDLLNENANKDSRVFPTQRDLMAGIVSKHIAKNMV...	unknown
Thymidylate kinase	MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE...	unknown
Glucose-1-phosphate thymidylyltransferase 2	MKGIILAGGSGTRLHPITRGVSKQLLPIYDKPMIYYPLSVLMLAGIREIL...	unknown
DNA primase/helicase	MDNSHDSDSVFLYHIPCDNCGSSDGNSLFSDGHTFCYVCEKWTAGNEDTK...	unknown
Glucose-1-phosphate thymidylyltransferase	MKTRKGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIR...	unknown
Thymidine kinase 2, mitochondrial	MLLWPLRGWAARALRCFGPGSRGSPASGPGPRRVQRRAWPPDKEQEKEKK...	unknown
Thymidine kinase	MAKVNAFSKKIGWIELITGPMFAGKTAELIRRLHRLEYADVKYLVFKPKI...	unknown
Ribonucleoside-diphosphate reductase 2 subunit alpha	MATTTPERVMQETMDYHALNAMLNLYDKAGHIQFDKDQQAIDAFFATHVR...	unknown
Glucose-1-phosphate thymidylyltransferase	MKRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIRE...	unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682