CHEBI:165830 - UpG

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name UpG
ChEBI ID CHEBI:165830
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H24N7O13P
Net Charge 0
Average Mass 589.411
Monoisotopic Mass 589.11697
InChI InChI=1S/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-11(30)10(29)7(38-16)4-36-40(34,35)39-13-6(3-27)37-17(12(13)31)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1
InChIKey BJDSHVBWORJTID-VMIOUTBZSA-N
SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](CO)O[C@H]([C@@H]3O)N3C=CC(=O)NC3=O)[C@@H](O)[C@H]2O)C(=O)N1
ChEBI Ontology
Outgoing UpG (CHEBI:165830) is a nucleoside analogue (CHEBI:60783)
UpG (CHEBI:165830) is a purines (CHEBI:26401)
IUPAC Name
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate
Manual Xref Database
96654 ChemSpider
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Last Modified
12 May 2021