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

Default Structure
ChEBI IDCHEBI:58753
ChEBI NameADP-α-D-ribose 1''-phosphate(4−)
Stars
ASCII NameADP-alpha-D-ribose 1''-phosphate(4-)
DefinitionTetraanion of ADP-α-D-ribose 1''-phosphate arising from deprotonation of phosphate and diphosphate functions. Major species at pH 7.3.
Last Modified9 August 2022
DownloadsMolfile
FormulaC15H20N5O17P3
Net Charge-4
Average Mass635.265
Monoisotopic Mass635.00890
SMILESNc1ncnc2c1ncn2[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
InChIInChI=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
InChIKeyCUNFRFHBHMFVPH-KEOHHSTQSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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]
UniProt Name  Source
ADP-α-D-ribose 1''-phosphateUniProt