5HU

5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE

Created:	2002-09-26
Last modified:	2011-06-04

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4 entries where 5HU is found as a standalone ligand6 entries where 5HU is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	3
Bond Count	38
Aromatic Bond Count	0

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Chemical Component Summary
Name	5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-3-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₁₀ H₁₅ N₂ O₉ P
Molecular Weight	338.208
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=O)N(C=C1CO)C2OC(C(O)C2)COP(=O)(O)O
SMILES	CACTVS	3.341	OCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(OC1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	OCC1=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	C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C10H15N2O9P/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(21-8)4-20-22(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
InChIKey	InChI	1.03	WEBVWKFGRVLCNS-XLPZGREQSA-N

Drug Info: DrugBank

DrugBank ID	DB03846
Name	2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)
Groups	experimental
Synonyms	2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate) 5-hydroxymethyluridine-2'-deoxy-5'-monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thymidylate kinase	MLIAIEGVDGAGKRTLVEKLSGAFRAAGRSVATLAFPRYGQSVAADIAAE...	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