CHEBI:48582 - ADP-α-D-ribose 1'',2''-cyclic phosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name ADP-α-D-ribose 1'',2''-cyclic phosphate
ChEBI ID CHEBI:48582
ChEBI ASCII Name ADP-alpha-D-ribose 1'',2''-cyclic phosphate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H22N5O16P3
Net Charge 0
Average Mass 621.28056
Monoisotopic Mass 621.02744
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)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKey NPSPRYXPOGPCPM-KEOHHSTQSA-N
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 (CHEBI:48582) has functional parent ADP-α-D-ribose (CHEBI:191408)
ADP-α-D-ribose 1'',2''-cyclic phosphate (CHEBI:48582) is a ribose monophosphate (CHEBI:35159)
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)
Incoming 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)
IUPAC Name
adenosine 5'-[3-(1,2-O-phospho-α-D-ribofuranos-5-O-yl) dihydrogen diphosphate]
Synonyms Sources
ADP-ribose 1'',2''-cyclic phosphate ChEBI
ADP-ribose 1''-2'' cyclic phosphate ChEBI
Appr>p ChEBI
Registry Number Type Source
7562061 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
7929175 PubMed citation Europe PMC
Last Modified
19 May 2022