CHEBI:142456 - cyclic hexaadenylate(6−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 hexaadenylate(6−)
ChEBI ID CHEBI:142456
ChEBI ASCII Name cyclic hexaadenylate(6-)
Definition Cyclic hexaadenylate; 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 C60H66N30O36P6
Net Charge -6
Average Mass 1969.190
Monoisotopic Mass 1968.27146
InChI InChI=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
InChIKey HGZSDNLBIZFIHC-WPYUWTNHSA-H
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@@]%14([C@](O[C@@](N%15C=%16N=CN=C(N)C%16N=C%15)([C@@H]%14O)[H])(COP(=O)([O-])O[C@@]%17([C@](O[C@@](N%18C=%19N=CN=C(N)C%19N=C%18)([C@@H]%17O)[H])(COP(=O)([O-])O[C@]4([C@H]3O)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H]
ChEBI Ontology
Outgoing 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)
Synonyms Sources
c-A6 SUBMITTER
cyclic hexaadenylate UniProt
Citation Waiting for Citations Type Source
28722012 PubMed citation SUBMITTER