DT

THYMIDINE-5'-MONOPHOSPHATE

Created:	2006-12-05
Last modified:	2024-09-27

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13 entries where DT is found as a standalone ligand1 entries where DT is covalently linked to polymer or other heterogen groups 11,006 entries where DT is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	3
Bond Count	37
Aromatic Bond Count	0

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Chemical Component Summary
Name	THYMIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₅ N₂ O₈ P
Molecular Weight	322.208
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O
SMILES	CACTVS	3.341	CC1=CN([CH]2C[CH](O)[CH](CO[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)O)O
Canonical SMILES	CACTVS	3.341	CC1=CN([C@H]2C[C@H](O)[C@@H](CO[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)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	GYOZYWVXFNDGLU-XLPZGREQSA-N

Drug Info: DrugBank

DrugBank ID	DB01643
Name	Thymidine monophosphate
Groups	experimental
Description	5-Thymidylic acid. A thymine nucleotide containing one phosphate group esterified to the deoxyribose moiety.
Synonyms	5'-TMP Thymidine-5'-Monophosphate Deoxythymidine monophosphate thymidine 5'-(dihydrogen phosphate) Thymidylate 5'-Thymidylic acid Thymidine-5'-monophosphoric acid Thymidine-5'-phosphate 2'-deoxy-5-methyluridine 5'-(dihydrogen phosphate) 5-Methyl-dUMP Thymidine 5'-phosphoric acid Thymidine monophosphate TMP Thymidine 5'-phosphate Thymidylic acid ribothymidine 5'-monophosphate Thymidine mononucleotide dTMP Deoxyribosylthymine monophosphate
Categories	Deoxyribonucleotides Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Pyrimidine Nucleotides Pyrimidines Thymine Nucleotides
CAS number	365-07-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thymidylate kinase	MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE...	unknown	product of
Thymidylate kinase	MAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIG...	unknown	product of
Thymidylate synthase	MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDR...	unknown	product of
DNA topoisomerase 1	MGKALVIVESPAKAKTINKYLGSDYVVKSSVGHIRDLPTSGSAAKKSADS...	unknown
Thymidylate synthase	MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTK...	unknown	product of
PCZA361.16	MQARKLAVDGAIEFTPRVFADDRGLLILPYQEEAFVEAHGGPLFRVAQTI...	unknown
DNA polymerase III subunit epsilon	MSTAITRQIVLDTETTGMNQIGAHYEGHKIIEIGAVEVVNRRLTGNNFHV...	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