TRH

2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE

Created:	2000-11-28
Last modified:	2011-06-04

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17 entries where TRH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	10
Bond Count	63
Aromatic Bond Count	0

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Chemical Component Summary
Name	2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE
Systematic Name (OpenEye OEToolkits)	[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl] hydrogen phosphate
Formula	C₁₆ H₂₆ N₂ O₁₅ P₂
Molecular Weight	548.33
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OC1OC(C(O)C(O)C1O)C)(O)OP(=O)(O)OCC3OC(N2C=C(C(=O)NC2=O)C)CC3O
SMILES	CACTVS	3.341	C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)O)O
Canonical SMILES	CACTVS	3.341	C[C@@H]1O[C@H](O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O
InChI	InChI	1.03	InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,11-,12+,13+,15+/m0/s1
InChIKey	InChI	1.03	ZOSQFDVXNQFKBY-CGAXJHMRSA-N

Drug Info: DrugBank

DrugBank ID	DB03723
Name	2'-Deoxy-thymidine-beta-L-rhamnose
Groups	experimental
Synonyms	dTDP-L-rhamnose dTDP-6-deoxy-L-mannose Thymidine diphosphate-L-rhamnose 2'-Deoxy-thymidine-beta-L-rhamnose dTDP-6-deoxy-β-L-mannose dTDP-β-L-rhamnose
Categories	Carbohydrates Deoxyribonucleotides Glycosides Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Pyrimidine Nucleotides Pyrimidines Ribonucleotides
CAS number	2147-59-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
dTDP-4-dehydrorhamnose reductase	MNILLFGKTGQVGWELQRSLAPVGNLIALDVHSKEFCGDFSNPKGVAETV...	unknown
Glucose-1-phosphate thymidylyltransferase	MKRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIRE...	unknown

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