EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17422 - P1,P4-bis(5'-adenosyl) tetraphosphate

ChEBI IDCHEBI:17422
ChEBI NameP1,P4-bis(5'-adenosyl) tetraphosphate
Stars
ASCII NameP(1),P(4)-bis(5'-adenosyl) tetraphosphate
DefinitionA diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P1- and P4-positions.
Secondary ChEBI IDsCHEBI:7875, CHEBI:12726, CHEBI:12729, CHEBI:21998
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H28N10O19P4
Net Charge0
Average Mass836.391
Monoisotopic Mass836.04827
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=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/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)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)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyYOAHKNVSNCMZGQ-XPWFQUROSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
P1,P4-bis(5'-adenosyl) tetraphosphate (CHEBI:17422) has role Escherichia coli metabolite (CHEBI:76971)
P1,P4-bis(5'-adenosyl) tetraphosphate (CHEBI:17422) has role mouse metabolite (CHEBI:75771)
P1,P4-bis(5'-adenosyl) tetraphosphate (CHEBI:17422) is a diadenosyl tetraphosphate (CHEBI:63738)
P1,P4-bis(5'-adenosyl) tetraphosphate (CHEBI:17422) is conjugate acid of P1,P4-bis(5'-adenosyl) tetraphosphate(4−) (CHEBI:58141)
Incoming Relation(s)
P1,P4-bis(5'-adenosyl) tetraphosphate(4−) (CHEBI:58141) is conjugate base of P1,P4-bis(5'-adenosyl) tetraphosphate (CHEBI:17422)
IUPAC Name 
adenosine(5')tetraphospho(5')adenosine
Synonyms  Source
P1,P4-Bis(5'-adenosyl) tetraphosphateKEGG COMPOUND
AppppAKEGG COMPOUND
bis(5'-adenylyl) diphosphateIUBMB
A(5')p4(5')AIUBMB
(ppA)2IUBMB
Manual XrefsDatabases
C01260KEGG COMPOUND
B4PPDBeChem