cyclic ADP-beta-D-ribose (CHEBI:31445)

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CHEBI:31445 - cyclic ADP-β-D-ribose

ChEBI ID	CHEBI:31445
ChEBI Name	cyclic ADP-β-D-ribose
Stars
ASCII Name	cyclic ADP-beta-D-ribose
Definition	A cyclic purine nucleotide that is synthesised from NAD+ by ADP-ribosyl cyclase; acts as an agonist at ryanodine receptors.
Last Modified	16 January 2023
Downloads	Molfile

Formula	C15H21N5O13P2
Net Charge	0
Average Mass	541.303
Monoisotopic Mass	541.06111
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)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKey	BQOHYSXSASDCEA-KEOHHSTQSA-N

Wikipedia

Roles Classification

Biological Roles:

ryanodine receptor agonist A ryanodine receptor modulator which activates the receptor. Ryanodine receptors (RyRs) act as selective ion channels, modulating the release of calcium. Activating the receptors causes the release of calcium, so depleting internal calcium and ultimately preventing further muscle contraction.

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	cyclic ADP-β-D-ribose (CHEBI:31445) has functional parent ADP-β-D-ribose (CHEBI:191409)
	cyclic ADP-β-D-ribose (CHEBI:31445) has role metabolite (CHEBI:25212)
	cyclic ADP-β-D-ribose (CHEBI:31445) has role ryanodine receptor agonist (CHEBI:67114)
	cyclic ADP-β-D-ribose (CHEBI:31445) is a cyclic purine nucleotide (CHEBI:36982)
	cyclic ADP-β-D-ribose (CHEBI:31445) is a nucleotide-sugar (CHEBI:25609)
	cyclic ADP-β-D-ribose (CHEBI:31445) is conjugate acid of cyclic ADP-β-D-ribose(2−) (CHEBI:73672)
Incoming Relation(s)
	2'-phospho-cyclic ADP-ribose (CHEBI:76081) has functional parent cyclic ADP-β-D-ribose (CHEBI:31445)
	cyclic ADP-β-D-ribose(2−) (CHEBI:73672) is conjugate base of cyclic ADP-β-D-ribose (CHEBI:31445)

Synonyms	Source
cADPR	KEGG COMPOUND
cADP-ribose	ChEBI
cyclic adenosine diphosphate ribose	MetaCyc
cyclic ADP-ribose	ChEBI
E-NAD	ChemIDplus
Enzyme-activated NAD	ChemIDplus

Manual Xrefs	Databases
C13050	KEGG COMPOUND
CADPR	Wikipedia
CPD-14880	MetaCyc
US2005065109	Patent
US2005276762	Patent
WO2006120681	Patent

Registry Numbers	Sources
Reaxys:7064766	Reaxys
CAS:119340-53-3	ChemIDplus
CAS:119340-53-3	KEGG COMPOUND

Citations