UP6

6-AZA URIDINE 5'-MONOPHOSPHATE

Created:	2000-02-02
Last modified:	2020-06-05

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24 entries where UP6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	6

2D diagram of UP6

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Chemical Component Summary
Name	6-AZA URIDINE 5'-MONOPHOSPHATE
Synonyms	6-AZA-UMP
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₈ H₁₂ N₃ O₉ P
Molecular Weight	325.169
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N(N=CC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2N=CC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1=NN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2N=CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1
InChIKey	InChI	1.03	LRVZOSYMNMNQFR-SHUUEZRQSA-N

Drug Info: DrugBank

DrugBank ID	DB03718
Name	6-aza uridine 5'-monophosphate
Groups	experimental
Synonyms	6-Aza-UMP 6-Azauridine-5'-monophosphate 6-Aza-Uridine Monophosphate 6-aza uridine 5'-monophosphate
Categories	Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Pyrimidine Nucleotides Pyrimidines Ribonucleotides Uracil Nucleotides
CAS number	2018-19-1

Related Resource References

Resource Name	Reference
PubChem	150959
ChEMBL	CHEMBL463480
ChEBI	CHEBI:46319

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.