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CHEBI:28400 - P1,P4-bis(5'-xanthosyl) tetraphosphate

ChEBI IDCHEBI:28400
ChEBI NameP1,P4-bis(5'-xanthosyl) tetraphosphate
Stars
ASCII NameP(1),P(4)-bis(5'-xanthosyl) tetraphosphate
DefinitionA purine ribonucleoside 5'-tetraphosphate compound having 5'-xanthosyl residues at the P1- and P4-positions.
Secondary ChEBI IDsCHEBI:7878, CHEBI:22001
Last Modified27 January 2016
DownloadsMolfile
FormulaC20H26N8O23P4
Net Charge0
Average Mass870.357
Monoisotopic Mass870.00613
SMILESO=c1nc(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(=O)nc(=O)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C20H26N8O23P4/c29-9-5(47-17(11(9)31)27-3-21-7-13(27)23-19(35)25-15(7)33)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(30)12(32)18(48-6)28-4-22-8-14(28)24-20(36)26-16(8)34/h3-6,9-12,17-18,29-32H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,23,25,33,35)(H2,24,26,34,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
InChIKeyPNTZPNDMKHCLNV-MHARETSRSA-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,P4-bis(5'-xanthosyl) tetraphosphate (CHEBI:28400) has role mouse metabolite (CHEBI:75771)
P1,P4-bis(5'-xanthosyl) tetraphosphate (CHEBI:28400) is a purine ribonucleoside 5'-tetraphosphate (CHEBI:37067)
P1,P4-bis(5'-xanthosyl) tetraphosphate (CHEBI:28400) is a xanthosine 5'-phosphate (CHEBI:53012)
IUPAC Name 
xanthosine(5')tetraphospho(5')xanthosine
Synonyms  Source
P1,P4-Bis(5'-xanthosyl) tetraphosphateKEGG COMPOUND
XppppXKEGG COMPOUND
Manual XrefsDatabases
C04392KEGG COMPOUND