CHEBI:63689 - P¹,P⁶-bis(5'-adenosyl)hexaphosphate

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ChEBI Name P1,P6-bis(5'-adenosyl)hexaphosphate ChEBI ID CHEBI:63689 ChEBI ASCII Name P(1),P(6)-bis(5'-adenosyl)hexaphosphate Definition A diadenosyl hexaphosphate in which the two adenosin-5'-yl groups are attached at the P1 and P6 positions. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H30N10O25P6 Net Charge 0 Average Mass 996.34680 Monoisotopic Mass 995.98093 InChI InChI=1S/C20H30N10O25P6/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(49-19)1-47-56(35,36)51-58(39,40)53-60(43,44)55-61(45,46)54-59(41,42)52-57(37,38)48-2-8-12(32)14(34)20(50-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 InChIKey PZCFFCOJNXGTIM-XPWFQUROSA-N SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O Roles Classification Application(s): vasoconstrictor agent Drug used to cause constriction of the blood vessels. View more via ChEBI Ontology ChEBI Ontology Outgoing P1,P6-bis(5'-adenosyl)hexaphosphate (CHEBI:63689) has role vasoconstrictor agent (CHEBI:50514) P1,P6-bis(5'-adenosyl)hexaphosphate (CHEBI:63689) is a diadenosyl hexaphosphate (CHEBI:63736) P1,P6-bis(5'-adenosyl)hexaphosphate (CHEBI:63689) is conjugate acid of P1,P6-bis(5'-adenosyl)hexaphosphate(6−) (CHEBI:63740) Incoming P1,P6-bis(5'-adenosyl)hexaphosphate(6−) (CHEBI:63740) is conjugate base of P1,P6-bis(5'-adenosyl)hexaphosphate (CHEBI:63689) IUPAC Name adenosine(5')hexaphospho(5')adenosine Synonyms Sources Adenosine 5'-hexaphosphate 5'-ester with adenosine HMDB Adenosine-(5')-hexaphospho-(5')-adenosine HMDB Ap(6)A ChemIDplus AP6A HMDB AppppppA HMDB Diadenosine 5',5''''-P1,P6-hexaphosphate ChemIDplus Diadenosine hexaphosphate ChemIDplus P1,P6-di(Adenosine-5')hexaphosphate ChemIDplus Manual Xrefs Databases B6P PDBeChem HMDB0001282 HMDB View more database links Registry Numbers Types Sources 5230931 Reaxys Registry Number Reaxys 56983-23-4 CAS Registry Number ChemIDplus Citations Types Sources 10385004 PubMed citation Europe PMC 10419486 PubMed citation SUBMITTER 10523376 PubMed citation Europe PMC 11327631 PubMed citation Europe PMC 12121577 PubMed citation SUBMITTER 14502438 PubMed citation Europe PMC 15066958 PubMed citation Europe PMC 1632493 PubMed citation Europe PMC 17824959 PubMed citation Europe PMC 20190246 PubMed citation Europe PMC 20807533 PubMed citation Europe PMC 7769127 PubMed citation Europe PMC 8114917 PubMed citation Europe PMC 8566144 PubMed citation Europe PMC Last Modified 23 October 2015