CHEBI:63740 - P1,P6-bis(5'-adenosyl)hexaphosphate(6−)

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ChEBI Name P1,P6-bis(5'-adenosyl)hexaphosphate(6−)
ChEBI ID CHEBI:63740
ChEBI ASCII Name P(1),P(6)-bis(5'-adenosyl)hexaphosphate(6-)
Definition An organophosphate oxoanion obtained by global deprotonation of the hexaphosphate OH groups of P1,P6-bis(5'-adenosyl)hexaphosphate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H24N10O25P6
Net Charge -6
Average Mass 990.29910
Monoisotopic Mass 989.93727
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)/p-6/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey PZCFFCOJNXGTIM-XPWFQUROSA-H
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
ChEBI Ontology
Outgoing P1,P6-bis(5'-adenosyl)hexaphosphate(6−) (CHEBI:63740) is a organophosphate oxoanion (CHEBI:58945)
P1,P6-bis(5'-adenosyl)hexaphosphate(6−) (CHEBI:63740) is conjugate base of P1,P6-bis(5'-adenosyl)hexaphosphate (CHEBI:63689)
Incoming P1,P6-bis(5'-adenosyl)hexaphosphate (CHEBI:63689) is conjugate acid of P1,P6-bis(5'-adenosyl)hexaphosphate(6−) (CHEBI:63740)
Synonyms Sources
P1,P6-bis(5'-adenosyl) hexaphosphate UniProt
P1,P6-bis(5'-adenosyl)hexaphosphate ChEBI
Last Modified
17 March 2019
General Comment
2012-01-25 Needed for the new IUBMB reaction: P1,P6-bis(5'-adenosyl)hexaphosphate + H2O = adenosine 5'-pentaphosphate + AMP