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

ChEBI IDCHEBI:27775
ChEBI NameP1,P3-bis(5'-adenosyl) triphosphate
Stars
ASCII NameP(1),P(3)-bis(5'-adenosyl) triphosphate
DefinitionA diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P1- and P3-positions.
Secondary ChEBI IDsCHEBI:7874, CHEBI:12728, CHEBI:21997
Last Modified12 July 2016
DownloadsMolfile
FormulaC20H27N10O16P3
Net Charge0
Average Mass756.412
Monoisotopic Mass756.08193
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyQCICUPZZLIQAPA-XPWFQUROSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
P1,P3-Bis(5'-adenosyl) triphosphateKEGG COMPOUND
ApppAKEGG COMPOUND
Diadenosine triphosphateChemIDplus
Adenosine(3)triphosphate adenosineChemIDplus
Ap3AChemIDplus
adenosine(5')triphospho(5')adenosineIUBMB
Manual XrefsDatabases
C06197KEGG COMPOUND
C06197KEGG COMPOUND
BA3PDBeChem
Registry NumbersSources
Beilstein:603878Beilstein
CAS:56432-02-1ChemIDplus
CAS:5959-90-0KEGG COMPOUND