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CHEBI:45796 - N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]carbamoyl}threonine

ChEBI IDCHEBI:45796
ChEBI NameN-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]carbamoyl}threonine
Stars
ASCII NameN-{N-[9-(5-O-phosphono-beta-D-ribofuranosyl)purin-6-yl]carbamoyl}threonine
Last Modified7 January 2015
DownloadsMolfile
FormulaC15H21N6O11P
Net Charge0
Average Mass492.338
Monoisotopic Mass492.10059
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)N([H])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])(O[H])C([H])([H])[H]
InChIInChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6-,7+,9-,10-,13-/m1/s1
InChIKeyBHFCEFYJTLMMEQ-DWVDDHQFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]carbamoyl}threonine (CHEBI:45796) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]carbamoyl}threonine (CHEBI:45796) is a L-threonine derivative (CHEBI:84189)
N-{N-[9-(5-O-phosphono-β-D-ribofuranosyl)purin-6-yl]carbamoyl}threonine (CHEBI:45796) is a nucleotide-amino acid (CHEBI:48116)
Synonyms  Source
N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATEPDBeChem
(2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name)PDBeChem
Manual XrefsDatabases
T6APDBeChem