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CHEBI:40643 - N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]-N-methylcarbamoyl}threonine

ChEBI IDCHEBI:40643
ChEBI NameN-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]-N-methylcarbamoyl}threonine
Stars
ASCII NameN-{N-[9-(5-O-phosphono-beta-D-ribofuranosyl)purin-6-yl]-N-methylcarbamoyl}threonine
Last Modified7 January 2015
DownloadsMolfile
FormulaC16H23N6O11P
Net Charge0
Average Mass506.365
Monoisotopic Mass506.11624
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)N(c1nc([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])([H])[H])[C@]([H])(O[H])C([H])([H])[H]
InChIInChI=1S/C16H23N6O11P/c1-6(23)8(15(26)27)20-16(28)21(2)12-9-13(18-4-17-12)22(5-19-9)14-11(25)10(24)7(33-14)3-32-34(29,30)31/h4-8,10-11,14,23-25H,3H2,1-2H3,(H,20,28)(H,26,27)(H2,29,30,31)/t6-,7-,8+,10-,11-,14-/m1/s1
InChIKeyVIABIDFODSKCDL-KQSSXJRRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]-N-methylcarbamoyl}threonine (CHEBI:40643) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]-N-methylcarbamoyl}threonine (CHEBI:40643) is a L-threonine derivative (CHEBI:84189)
N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]-N-methylcarbamoyl}threonine (CHEBI:40643) is a nucleotide-amino acid (CHEBI:48116)
Synonyms  Source
N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)METHYLCARBAMOYL]THREONINE-5'-MONOPHOSPHATEPDBeChem
(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)(methyl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)PDBeChem
Manual XrefsDatabases
AETPDBeChem