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CHEBI:142457 - cyclic tetraadenylate(4−)

ChEBI IDCHEBI:142457
ChEBI Namecyclic tetraadenylate(4−)
Stars
ASCII Namecyclic tetraadenylate(4-)
DefinitionCyclic tetraadenylate; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC40H44N20O24P4
Net Charge-4
Average Mass1312.804
Monoisotopic Mass1312.18097
SMILES[H][C@@]12COP(=O)([O-])O[C@@]3([H])[C@@H](O)[C@]([H])(n4cnc5c(N)ncnc54)O[C@]3([H])COP(=O)([O-])O[C@@]3([H])[C@@H](O)[C@]([H])(n4cnc5c(N)ncnc54)O[C@]3([H])COP(=O)([O-])O[C@@]3([H])[C@@H](O)[C@]([H])(n4cnc5c(N)ncnc54)O[C@]3([H])COP(=O)([O-])O[C@@]1([H])[C@@H](O)[C@]([H])(n1cnc3c(N)ncnc31)O2
InChIInChI=1S/C40H48N20O24P4/c41-29-17-33(49-5-45-29)57(9-53-17)37-21(61)25-13(77-37)1-73-85(65,66)82-26-14(78-38(22(26)62)58-10-54-18-30(42)46-6-50-34(18)58)2-75-87(69,70)84-28-16(80-40(24(28)64)60-12-56-20-32(44)48-8-52-36(20)60)4-76-88(71,72)83-27-15(3-74-86(67,68)81-25)79-39(23(27)63)59-11-55-19-31(43)47-7-51-35(19)59/h5-16,21-28,37-40,61-64H,1-4H2,(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H2,41,45,49)(H2,42,46,50)(H2,43,47,51)(H2,44,48,52)/p-4/t13-,14-,15-,16-,21-,22-,23-,24-,25-,26-,27-,28-,37-,38-,39-,40-/m1/s1
InChIKeyMIALYWQLJTUJBG-HKIDEBSPSA-J
ChEBI Ontology
Outgoing Relation(s)
cyclic tetraadenylate(4−) (CHEBI:142457) is a adenyl ribonucleotide (CHEBI:61296)
cyclic tetraadenylate(4−) (CHEBI:142457) is a cyclic oligonucleotide (CHEBI:75878)
cyclic tetraadenylate(4−) (CHEBI:142457) is a organophosphate oxoanion (CHEBI:58945)
Synonym  Source
c-A4SUBMITTER
UniProt Name  Source
cyclic tetraadenylateUniProt
Citations