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CHEBI:39515 - 2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE

Default Structure
ChEBI IDCHEBI:39515
ChEBI Name2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC16H23N6O11PS
Net Charge0
Average Mass538.432
Monoisotopic Mass538.08831
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)N([H])c1nc(SC([H])([H])[H])nc2c1nc([H])n2[C@]1([H])O[C@]([H])(C([H])([H])OP(=O)(O[H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H])[C@]([H])(O[H])C([H])([H])[H]
InChIInChI=1S/C16H23N6O11PS/c1-5(23)7(14(26)27)18-15(28)19-11-8-12(21-16(20-11)35-2)22(4-17-8)13-10(25)9(24)6(33-13)3-32-34(29,30)31/h4-7,9-10,13,23-25H,3H2,1-2H3,(H,26,27)(H2,29,30,31)(H2,18,19,20,21,28)/t5-,6-,7+,9-,10-,13-/m1/s1
InChIKeyCVAJCPGRFVTHBT-DWVDDHQFSA-N
ChEBI Ontology
Outgoing Relation(s)
2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATE (CHEBI:39515) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-METHYLTHIO-N6-(AMINOCARBONYL-L-THREONYL)-ADENOSINE-5'-MONOPHOSPHATEPDBeChem
(2S,3R)-2-({[9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2-(methylsulfanyl)-9H-purin-6-yl]carbamoyl}amino)-3-hydroxybutanoic acid (non-preferred name)PDBeChem
Manual XrefsDatabases
12APDBeChem