cyclic ADP-beta-D-ribose(2-) (CHEBI:73672)

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CHEBI:73672 - cyclic ADP-β-D-ribose(2−)

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ChEBI ID	CHEBI:73672
ChEBI Name	cyclic ADP-β-D-ribose(2−)
Stars
ASCII Name	cyclic ADP-beta-D-ribose(2-)
Definition	A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of cyclic ADP-β-D-ribose.
Last Modified	16 January 2023
Submitter	Steve
Downloads	Molfile

Formula	C15H19N5O13P2
Net Charge	-2
Average Mass	539.287
Monoisotopic Mass	539.04656
SMILES	N=c1c2ncn3c2ncn1[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/p-2/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKey	BQOHYSXSASDCEA-KEOHHSTQSA-L

ChEBI Ontology

Outgoing Relation(s)
	cyclic ADP-β-D-ribose(2−) (CHEBI:73672) is a nucleotide-sugar oxoanion (CHEBI:59737)
	cyclic ADP-β-D-ribose(2−) (CHEBI:73672) is conjugate base of cyclic ADP-β-D-ribose (CHEBI:31445)
Incoming Relation(s)
	2'-phospho-cyclic ADP-ribose(3−) (CHEBI:75970) has functional parent cyclic ADP-β-D-ribose(2−) (CHEBI:73672)
	cyclic ADP-β-D-ribose (CHEBI:31445) is conjugate acid of cyclic ADP-β-D-ribose(2−) (CHEBI:73672)

Synonyms	Source
cADPR(2−)	ChEBI
cyclic adenosine diphosphate ribose(2−)	ChEBI
cyclic adenosine diphosphate ribose dianion	ChEBI
cyclic ADP-ribose(2−)	ChEBI

UniProt Name	Source
cyclic ADP-β-D-ribose	UniProt

Manual Xrefs	Databases
CPD-14880	MetaCyc

Registry Numbers	Sources
Reaxys:8886834	Reaxys