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CHEBI:131579 - pApA

ChEBI IDCHEBI:131579
ChEBI NamepApA
Stars
DefinitionA 5'-phospho-(3'→5')-dinucleotide composed from two AMP residues.
Last Modified4 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H26N10O13P2
Net Charge0
Average Mass676.433
Monoisotopic Mass676.11560
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)11(31)7(41-19)1-40-45(37,38)43-14-8(2-39-44(34,35)36)42-20(13(14)33)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
InChIKeyGTUJJVSZIHQLHA-XPWFQUROSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Role:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
ChEBI Ontology
Outgoing Relation(s)
pApA (CHEBI:131579) has role Mycoplasma genitalium metabolite (CHEBI:131604)
pApA (CHEBI:131579) is a 5'-phospho-(3'→5')-dinucleotide (CHEBI:48638)
pApA (CHEBI:131579) is conjugate acid of pApA(3−) (CHEBI:138171)
Incoming Relation(s)
pApA(3−) (CHEBI:138171) is conjugate base of pApA (CHEBI:131579)
IUPAC Name 
5'-O-phosphonoadenylyl-(3'→5')-adenosine
Synonym  Source
Ap-ApChEBI
Registry NumbersSources
Reaxys:955294Reaxys