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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ADP-α-D-ribose 1'',2''-cyclic phosphate(3−)
ChEBI ID CHEBI:76596
ChEBI ASCII Name ADP-alpha-D-ribose 1'',2''-cyclic phosphate(3-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C15H19N5O16P3
Net Charge -3
Average Mass 618.25650
Monoisotopic Mass 618.00561
InChI InChI=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
InChIKey NPSPRYXPOGPCPM-KEOHHSTQSA-K
SMILES Nc1ncnc2n(cnc12)[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
ChEBI Ontology
Outgoing 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 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
Synonym Source
ADP-α-D-ribose 1'',2''-cyclic phosphate UniProt
Last Modified
09 August 2022