CHEBI:58529 - P1,P3-bis(5'-adenosyl) triphosphate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name P1,P3-bis(5'-adenosyl) triphosphate(3−)
ChEBI ID CHEBI:58529
ChEBI ASCII Name P(1),P(3)-bis(5'-adenosyl) triphosphate(3-)
Definition Trianion of P1,P3-bis(5'-adenosyl) triphosphate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H24N10O16P3
Net Charge -3
Average Mass 753.38320
Monoisotopic Mass 753.06011
InChI InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)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)(H2,21,23,25)(H2,22,24,26)/p-3/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey QCICUPZZLIQAPA-XPWFQUROSA-K
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([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,P3-bis(5'-adenosyl) triphosphate(3−) (CHEBI:58529) is a organophosphate oxoanion (CHEBI:58945)
P1,P3-bis(5'-adenosyl) triphosphate(3−) (CHEBI:58529) is conjugate base of P1,P3-bis(5'-adenosyl) triphosphate (CHEBI:27775)
Incoming P1,P3-bis(5'-adenosyl) triphosphate (CHEBI:27775) is conjugate acid of P1,P3-bis(5'-adenosyl) triphosphate(3−) (CHEBI:58529)
IUPAC Name
P1,P3-bis(5'-adenosyl) triphosphate
Synonym Source
P1,P3-bis(5'-adenosyl) triphosphate UniProt
Registry Number Type Source
9110836 Beilstein Registry Number Beilstein
Last Modified
14 March 2025