CHEBI:142456 - cyclic hexaadenylate(6−)

ChEBI IDCHEBI:142456
ChEBI Namecyclic hexaadenylate(6−)
Stars
ASCII Namecyclic hexaadenylate(6-)
DefinitionCyclic hexaadenylate; major species at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC60H66N30O36P6
Net Charge-6
Average Mass1969.206
Monoisotopic Mass1968.27146
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@@]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/C60H72N30O36P6/c61-43-25-49(73-7-67-43)85(13-79-25)55-31(91)37-19(115-55)1-109-127(97,98)122-38-20(116-56(32(38)92)86-14-80-26-44(62)68-8-74-50(26)86)2-111-129(101,102)124-40-22(118-58(34(40)94)88-16-82-28-46(64)70-10-76-52(28)88)4-113-131(105,106)126-42-24(120-60(36(42)96)90-18-84-30-48(66)72-12-78-54(30)90)6-114-132(107,108)125-41-23(119-59(35(41)95)89-17-83-29-47(65)71-11-77-53(29)89)5-112-130(103,104)123-39-21(3-110-128(99,100)121-37)117-57(33(39)93)87-15-81-27-45(63)69-9-75-51(27)87/h7-24,31-42,55-60,91-96H,1-6H2,(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H2,61,67,73)(H2,62,68,74)(H2,63,69,75)(H2,64,70,76)(H2,65,71,77)(H2,66,72,78)/p-6/t19-,20-,21-,22-,23-,24-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,55-,56-,57-,58-,59-,60-/m1/s1
InChIKeyHGZSDNLBIZFIHC-WPYUWTNHSA-H
ChEBI Ontology
Outgoing Relation(s)
cyclic hexaadenylate(6−) (CHEBI:142456) is a adenyl ribonucleotide (CHEBI:61296)
cyclic hexaadenylate(6−) (CHEBI:142456) is a cyclic oligonucleotide (CHEBI:75878)
cyclic hexaadenylate(6−) (CHEBI:142456) is a organophosphate oxoanion (CHEBI:58945)
Synonym  Source
c-A6SUBMITTER
UniProt Name  Source
cyclic hexaadenylateUniProt
Citations