EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165828 - UpA

ChEBI IDCHEBI:165828
ChEBI NameUpA
Stars
Last Modified12 May 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N7O12P
Net Charge0
Average Mass573.412
Monoisotopic Mass573.12206
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3ccc(=O)nc3=O)O[C@@H]2CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-12(30)11(29)8(37-17)4-35-39(33,34)38-14-7(3-27)36-18(13(14)31)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
InChIKeySWTWQWKNQDDGCS-KPKSGTNCSA-N
ChEBI Ontology
Outgoing Relation(s)
UpA (CHEBI:165828) is a nucleoside analogue (CHEBI:60783)
UpA (CHEBI:165828) is a purines (CHEBI:26401)
IUPAC Name 
[(2R,3S,4R,5R)-5-(6-amino-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 XrefsDatabases
83907ChemSpider