CHEBI:27775 - P1,P3-bis(5'-adenosyl) triphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name P1,P3-bis(5'-adenosyl) triphosphate
ChEBI ID CHEBI:27775
ChEBI ASCII Name P(1),P(3)-bis(5'-adenosyl) triphosphate
Definition A diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P1- and P3-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7874, CHEBI:21997, CHEBI:12728
Supplier Information ZINC000008220358
Download Molfile XML SDF
Formula C20H27N10O16P3
Net Charge 0
Average Mass 756.40746
Monoisotopic Mass 756.08194
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)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKey QCICUPZZLIQAPA-XPWFQUROSA-N
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
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing P1,P3-bis(5'-adenosyl) triphosphate (CHEBI:27775) has role mouse metabolite (CHEBI:75771)
P1,P3-bis(5'-adenosyl) triphosphate (CHEBI:27775) is a diadenosyl triphosphate (CHEBI:63739)
P1,P3-bis(5'-adenosyl) triphosphate (CHEBI:27775) is conjugate acid of P1,P3-bis(5'-adenosyl) triphosphate(3−) (CHEBI:58529)
Incoming P1,P3-bis(5'-adenosyl) triphosphate(3−) (CHEBI:58529) is conjugate base of P1,P3-bis(5'-adenosyl) triphosphate (CHEBI:27775)
IUPAC Name
P1,P3-bis(5'-adenosyl) trihydrogen triphosphate
Synonyms Sources
5'Ap3A ChEBI
A(5')p3(5')A CBN
Adenosine 5'-triphosphate 5'-adenosine KEGG COMPOUND
Adenosine(3)triphosphate adenosine ChemIDplus
adenosine(5')triphospho(5')adenosine CBN
Ap3A ChemIDplus
ApppA KEGG COMPOUND
Diadenosine triphosphate ChemIDplus
P1,P3-Bis(5'-adenosyl) triphosphate KEGG COMPOUND
Manual Xrefs Databases
BA3 PDBeChem
C06197 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
56432-02-1 CAS Registry Number ChemIDplus
5959-90-0 CAS Registry Number KEGG COMPOUND
603878 Beilstein Registry Number Beilstein
Last Modified
12 July 2016