CHEBI:142457 - cyclic tetraadenylate(4−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cyclic tetraadenylate(4−)
ChEBI ID CHEBI:142457
ChEBI ASCII Name cyclic tetraadenylate(4-)
Definition Cyclic tetraadenylate; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C40H44N20O24P4
Net Charge -4
Average Mass 1312.794
Monoisotopic Mass 1312.18097
InChI InChI=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
InChIKey MIALYWQLJTUJBG-HKIDEBSPSA-J
SMILES NC1=NC=NC2=C1N=CN2[C@@]3(O[C@@]4(COP(=O)([O-])O[C@@]5([C@](O[C@@](N6C=7N=CN=C(N)C7N=C6)([C@@H]5O)[H])(COP(=O)([O-])O[C@@]8([C@](O[C@@](N9C=%10N=CN=C(N)C%10N=C9)([C@@H]8O)[H])(COP(=O)([O-])O[C@@]%11([C@](O[C@@](N%12C=%13N=CN=C(N)C%13N=C%12)([C@@H]%11O)[H])(COP(=O)([O-])O[C@]4([C@H]3O)[H])[H])[H])[H])[H])[H])[H])[H])[H]
ChEBI Ontology
Outgoing 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)
Synonyms Sources
c-A4 SUBMITTER
cyclic tetraadenylate UniProt
Citation Waiting for Citations Type Source
30232454 PubMed citation SUBMITTER