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CHEBI:125438 - 4-[[9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]benzenesulfonic acid

Default Structure
ChEBI IDCHEBI:125438
ChEBI Name4-[[9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]benzenesulfonic acid
Stars
DownloadsMolfile
FormulaC16H17N5O7S
Net Charge0
Average Mass423.407
Monoisotopic Mass423.08487
SMILESO=S(=O)(O)c1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)C(O)C2O)cc1
InChIInChI=1S/C16H17N5O7S/c22-5-10-12(23)13(24)16(28-10)21-7-19-11-14(17-6-18-15(11)21)20-8-1-3-9(4-2-8)29(25,26)27/h1-4,6-7,10,12-13,16,22-24H,5H2,(H,17,18,20)(H,25,26,27)/t10-,12?,13?,16-/m1/s1
InChIKeyZUEJJBKBTNSMGJ-VHBSBENZSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]amino]benzenesulfonic acid (CHEBI:125438) is a purine nucleoside (CHEBI:26394)
Manual XrefsDatabases
LSM-36929LINCS