5MD

2'-deoxy-1-methyl-pseudouridine

Created: 2000-07-26
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count3
Bond Count32
Aromatic Bond Count0
2D diagram of 5MD
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Chemical Component Summary

Name2'-deoxy-1-methyl-pseudouridine
Synonyms5-METHYL-2'-DEOXYPSEUDOURIDINE
Systematic Name (OpenEye OEToolkits)5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione
FormulaC10 H14 N2 O5
Molecular Weight242.229
TypeDNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C
SMILESCACTVS3.341CN1C=C([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0CN1C=C(C(=O)NC1=O)C2CC(C(O2)CO)O
Canonical SMILESCACTVS3.341 CN1C=C([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChIInChI1.03 InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKeyInChI1.03 AMDJRICBYOAHBZ-XLPZGREQSA-N

Drug Info: DrugBank

DrugBank IDDB03763 
Name5-methyl-2'-deoxypseudouridine
Groups experimental
Synonyms5-methyl-2'-deoxypseudouridine
CAS number65358-15-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Nucleoside deoxyribosyltransferaseMPKKTIYFGAGWFTDRQNKAYKEAMEALKENPTIDLENSYVPLDNQYKGI...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

Related Resource References

Resource NameReference
PubChem 445537