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CHEBI:165830 - UpG

ChEBI IDCHEBI:165830
ChEBI NameUpG
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Last Modified12 May 2021
SubmitterMetaboLights
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FormulaC19H24N7O13P
Net Charge0
Average Mass589.411
Monoisotopic Mass589.11697
SMILESNc1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(=O)nc5=O)O[C@@H]4CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=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
InChIKeyBJDSHVBWORJTID-VMIOUTBZSA-N
ChEBI Ontology
Outgoing Relation(s)
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
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