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CHEBI:76596 - ADP-α-D-ribose 1'',2''-cyclic phosphate(3−)

Default Structure
ChEBI IDCHEBI:76596
ChEBI NameADP-α-D-ribose 1'',2''-cyclic phosphate(3−)
Stars
ASCII NameADP-alpha-D-ribose 1'',2''-cyclic phosphate(3-)
DefinitionA nucleotide-sugar oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of ADP-α-D-ribose 1'',2''-cyclic phosphate; major species at pH 7.3.
Last Modified9 August 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC15H19N5O16P3
Net Charge-3
Average Mass618.258
Monoisotopic Mass618.00561
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H]3OP(=O)([O-])O[C@@H]3[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H22N5O16P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-37(24,25)36-38(26,27)31-2-6-9(22)11-15(33-6)35-39(28,29)34-11/h3-6,8-11,14-15,21-23H,1-2H2,(H,24,25)(H,26,27)(H,28,29)(H2,16,17,18)/p-3/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKeyNPSPRYXPOGPCPM-KEOHHSTQSA-K
ChEBI Ontology
Outgoing Relation(s)
ADP-α-D-ribose 1'',2''-cyclic phosphate(3−) (CHEBI:76596) is a nucleotide-sugar oxoanion (CHEBI:59737)
ADP-α-D-ribose 1'',2''-cyclic phosphate(3−) (CHEBI:76596) is conjugate base of ADP-α-D-ribose 1'',2''-cyclic phosphate (CHEBI:48582)
Incoming Relation(s)
ADP-α-D-ribose 1'',2''-cyclic phosphate (CHEBI:48582) is conjugate acid of ADP-α-D-ribose 1'',2''-cyclic phosphate(3−) (CHEBI:76596)
IUPAC Name 
5'-O-{[({[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dioxidotetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methoxy}phosphinato)oxy]phosphinato}adenosine
UniProt Name  Source
ADP-α-D-ribose 1'',2''-cyclic phosphateUniProt