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CHEBI:176256 - ADP-ribose 1"-2" cyclic phosphate

ChEBI IDCHEBI:176256
ChEBI NameADP-ribose 1"-2" cyclic phosphate
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FormulaC15H22N5O16P3
Net Charge0
Average Mass621.282
Monoisotopic Mass621.02744
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2OC3OP(=O)(O)OC3C2O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyNPSPRYXPOGPCPM-PNUFQSOHSA-N
ChEBI Ontology
Outgoing Relation(s)
ADP-ribose 1"-2" cyclic phosphate (CHEBI:176256) is a purine nucleotide-sugar (CHEBI:64711)
IUPAC Name 
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(5R)-2,6-dihydroxy-2-oxo-3a,5,6,6a-tetrahydrouro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl hydrogen phosphate
Manual XrefsDatabases
HMDB0011671HMDB
35032086ChemSpider