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CHEBI:28898 - P1,P5-bis(5'-adenosyl) pentaphosphate

ChEBI IDCHEBI:28898
ChEBI NameP1,P5-bis(5'-adenosyl) pentaphosphate
Stars
ASCII NameP(1),P(5)-bis(5'-adenosyl) pentaphosphate
DefinitionA diadenosyl pentaphosphate having the two 5'-adenosyl residues attached at the P1- and P5-positions.
Secondary ChEBI IDsCHEBI:3120, CHEBI:22002
Last Modified25 January 2016
DownloadsMolfile
FormulaC20H29N10O22P5
Net Charge0
Average Mass916.370
Monoisotopic Mass916.01460
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=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/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)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)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyOIMACDRJUANHTJ-XPWFQUROSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Application:
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
P1,P5-bis(5'-adenosyl) pentaphosphate (CHEBI:28898) has role Escherichia coli metabolite (CHEBI:76971)
P1,P5-bis(5'-adenosyl) pentaphosphate (CHEBI:28898) has role vasoconstrictor agent (CHEBI:50514)
P1,P5-bis(5'-adenosyl) pentaphosphate (CHEBI:28898) is a diadenosyl pentaphosphate (CHEBI:63737)
P1,P5-bis(5'-adenosyl) pentaphosphate (CHEBI:28898) is conjugate acid of P1,P5-bis(5'-adenosyl) pentaphosphate(5−) (CHEBI:62041)
Incoming Relation(s)
P1,P5-bis(5'-adenosyl) pentaphosphate(5−) (CHEBI:62041) is conjugate base of P1,P5-bis(5'-adenosyl) pentaphosphate (CHEBI:28898)
IUPAC Name 
adenosine(5')pentaphospho(5')adenosine
Synonyms  Source
Bis(5'-adenosyl) pentaphosphateKEGG COMPOUND
P1,P5-Bis(5'-adenosyl) pentaphosphateKEGG COMPOUND
P(1),P(5)-Di(adenosine-5'-)pentaphosphateChemIDplus
Manual XrefsDatabases
C04058KEGG COMPOUND
AP5PDBeChem
Registry NumbersSources
Beilstein:604343Beilstein
CAS:50304-44-4ChemIDplus