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CHEBI:230697 - Cytidylyl-(5'-3')-5'-inosinic acid homopolymer

ChEBI IDCHEBI:230697
ChEBI NameCytidylyl-(5'-3')-5'-inosinic acid homopolymer
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25N7O15P2
Net Charge0
Average Mass653.391
Monoisotopic Mass653.08839
SMILESNc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)ncnc54)O[C@@H]3COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C19H25N7O15P2/c20-9-1-2-25(19(31)24-9)17-12(28)11(27)7(39-17)3-38-43(35,36)41-14-8(4-37-42(32,33)34)40-18(13(14)29)26-6-23-10-15(26)21-5-22-16(10)30/h1-2,5-8,11-14,17-18,27-29H,3-4H2,(H,35,36)(H2,20,24,31)(H,21,22,30)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
InChIKeyAMPGKCGKDFMFND-KPKSGTNCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Cytidylyl-(5'-3')-5'-inosinic acid homopolymer (CHEBI:230697) is a (3'→5')-dinucleotide (CHEBI:48637)
IUPAC Name 
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-4-hydroxy-5-(6-oxo-3H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
Manual XrefsDatabases
185150ChemSpider