CHEBI:58753 - ADP-α-D-ribose 1''-phosphate(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ADP-α-D-ribose 1''-phosphate(4−)
ChEBI ID CHEBI:58753
ChEBI ASCII Name ADP-alpha-D-ribose 1''-phosphate(4-)
Definition Tetraanion of ADP-α-D-ribose 1''-phosphate arising from deprotonation of phosphate and diphosphate functions. Major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H20N5O17P3
Net Charge -4
Average Mass 635.26390
Monoisotopic Mass 635.00890
InChI InChI=1S/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(34-14)1-32-39(28,29)37-40(30,31)33-2-6-9(22)11(24)15(35-6)36-38(25,26)27/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/p-4/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKey CUNFRFHBHMFVPH-KEOHHSTQSA-J
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing ADP-α-D-ribose 1''-phosphate(4−) (CHEBI:58753) is a nucleotide-sugar oxoanion (CHEBI:59737)
ADP-α-D-ribose 1''-phosphate(4−) (CHEBI:58753) is conjugate base of ADP-α-D-ribose 1''-phosphate (CHEBI:48584)
Incoming ADP-α-D-ribose 1''-phosphate (CHEBI:48584) is conjugate acid of ADP-α-D-ribose 1''-phosphate(4−) (CHEBI:58753)
IUPAC Name
adenosine 5'-[3-(1-O-phosphonato-α-D-ribofuranos-5-O-yl) diphosphate]
Synonym Source
ADP-α-D-ribose 1''-phosphate UniProt
Last Modified
09 August 2022