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CHEBI:191409 - ADP-β-D-ribose

Default Structure
ChEBI IDCHEBI:191409
ChEBI NameADP-β-D-ribose
Stars
ASCII NameADP-beta-D-ribose
DefinitionAn ADP-D-ribose with α configuration at the anomeric centre.
Last Modified16 January 2023
SubmitterAdnan
DownloadsMolfile
FormulaC15H23N5O14P2
Net Charge0
Average Mass559.318
Monoisotopic Mass559.07167
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKeySRNWOUGRCWSEMX-KEOHHSTQSA-N
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
ADP-β-D-ribose (CHEBI:191409) is a ADP-D-ribose (CHEBI:16960)
Incoming Relation(s)
cyclic ADP-β-D-ribose (CHEBI:31445) has functional parent ADP-β-D-ribose (CHEBI:191409)
IUPAC Name 
adenosine 5'-[3-(β-D-ribofuranos-5-O-yl) dihydrogen diphosphate]
Synonym  Source
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphateIUPAC
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