ADP-alpha-D-ribose 1'',2''-cyclic phosphate (CHEBI:48582)

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

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ChEBI ID	CHEBI:48582
ChEBI Name	ADP-α-D-ribose 1'',2''-cyclic phosphate
Stars
ASCII Name	ADP-alpha-D-ribose 1'',2''-cyclic phosphate
Last Modified	19 May 2022
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C15H22N5O16P3
Net Charge	0
Average Mass	621.282
Monoisotopic Mass	621.02744
SMILES	Nc1ncnc2c1ncn2[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
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

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	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	Source
ADP-ribose 1'',2''-cyclic phosphate	ChEBI
ADP-ribose 1''-2'' cyclic phosphate	ChEBI
Appr>p	ChEBI

Registry Numbers	Sources
Beilstein:7562061	Beilstein

Citations