NYM

3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE

Created: 2003-01-15
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count3
Bond Count38
Aromatic Bond Count0
2D diagram of NYM
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Chemical Component Summary

Name3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE
SynonymsPHOSPHORIC ACID MONO-[3-AMINO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
Systematic Name (OpenEye OEToolkits)[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
FormulaC10 H16 N3 O7 P
Molecular Weight321.224
TypeDNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC(=O)N(C=C1C)C2OC(C(N)C2)COP(=O)(O)O
SMILESCACTVS3.341CC1=CN([CH]2C[CH](N)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)N
Canonical SMILESCACTVS3.341 CC1=CN([C@H]2C[C@H](N)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N
InChIInChI1.03 InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyInChI1.03 BQZMHQZNZNBJNF-XLPZGREQSA-N

Drug Info: DrugBank

DrugBank IDDB03233 
Name3'-deoxy-3'-aminothymidine monophosphate
Groups experimental
Synonyms3'-deoxy-3'-aminothymidine monophosphate
CAS number42214-32-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Thymidylate kinaseMAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIG...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 162501
ChEMBL CHEMBL1160597