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CHEBI:21457 - N-[(9-β-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine

ChEBI IDCHEBI:21457
ChEBI NameN-[(9-β-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine
Stars
ASCII NameN-[(9-beta-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine
DefinitionAn N-(adenosin-N6-ylcarbonyl)threonine in which the adenosine ring is carrying a 2-methylthio substituent.
Last Modified7 January 2015
DownloadsMolfile
FormulaC16H22N6O8S
Net Charge0
Average Mass458.453
Monoisotopic Mass458.12198
SMILESCSc1nc(NC(=O)N[C@H](C(=O)O)[C@@H](C)O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C16H22N6O8S/c1-5(24)7(14(27)28)18-15(29)19-11-8-12(21-16(20-11)31-2)22(4-17-8)13-10(26)9(25)6(3-23)30-13/h4-7,9-10,13,23-26H,3H2,1-2H3,(H,27,28)(H2,18,19,20,21,29)/t5-,6-,7+,9-,10-,13-/m1/s1
InChIKeyMMNYGKPAZBIRKN-DWVDDHQFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(9-β-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine (CHEBI:21457) has functional parent adenosine (CHEBI:16335)
N-[(9-β-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine (CHEBI:21457) is a N-(adenosin-N6-ylcarbonyl)threonine (CHEBI:36989)
N-[(9-β-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]threonine (CHEBI:21457) is a L-threonine derivative (CHEBI:84189)
Synonyms  Source
N-[(9-β-D-ribofuranosyl-2-methylthiopurin-6-yl)carbamoyl]-L-threonineChEBI
ms2t6aChEBI
Registry NumbersSources
CAS:70333-82-3ChemIDplus