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CHEBI:17980 - 3'-phospho-5'-adenylyl sulfate

ChEBI IDCHEBI:17980
ChEBI Name3'-phospho-5'-adenylyl sulfate
Stars
DefinitionAn adenosine bisphosphate having monophosphate groups at the 3'- and 5'-positions and a sulfo group attached to the phosphate at position 5'.
Secondary ChEBI IDsCHEBI:1353, CHEBI:11679, CHEBI:11680, CHEBI:19857
Last Modified27 January 2016
DownloadsMolfile
FormulaC10H15N5O13P2S
Net Charge0
Average Mass507.267
Monoisotopic Mass506.98623
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O
InChIInChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1
InChIKeyGACDQMDRPRGCTN-KQYNXXCUSA-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)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) has functional parent 5'-adenylyl sulfate (CHEBI:17709)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) has functional parent adenosine 3',5'-bismonophosphate (CHEBI:17985)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) has role Escherichia coli metabolite (CHEBI:76971)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) has role mouse metabolite (CHEBI:75771)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) is a acyl sulfate (CHEBI:37875)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) is a adenosine bisphosphate (CHEBI:22251)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) is a purine ribonucleoside bisphosphate (CHEBI:64620)
3'-phospho-5'-adenylyl sulfate (CHEBI:17980) is conjugate acid of 3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339)
Incoming Relation(s)
3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339) is conjugate base of 3'-phospho-5'-adenylyl sulfate (CHEBI:17980)
IUPAC Name 
3'-O-phosphono-5'-adenylyl sulfate
Synonyms  Source
3'-Phosphoadenylyl sulfateKEGG COMPOUND
3'-Phosphoadenosine 5'-phosphosulfateKEGG COMPOUND
3'-Phospho-5'-adenylyl sulfateKEGG COMPOUND
PAPSKEGG COMPOUND
3'-phospho-5'-adenylyl sulfateChEBI
3'-phosphoadenosine 5'-phosphosulfateChEBI
Manual XrefsDatabases
C00053KEGG COMPOUND
C00053KEGG COMPOUND
PPSPDBeChem
C00007446KNApSAcK
Registry NumbersSources
CAS:482-67-7KEGG COMPOUND