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CHEBI:848 - 2'-phospho-5'-adenylyl sulfate

ChEBI IDCHEBI:848
ChEBI Name2'-phospho-5'-adenylyl sulfate
Stars
DefinitionAn adenosine bisphosphate having monophosphate groups at the 2'- and 5'-positions and a sulfo group attached to the phosphate at position 5'.
Last Modified14 July 2011
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](O)[C@H]1OP(=O)(O)O
InChIInChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)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
InChIKeySGNZKKOMSOPYFR-KQYNXXCUSA-N
ChEBI Ontology
Outgoing Relation(s)
2'-phospho-5'-adenylyl sulfate (CHEBI:848) has functional parent 5'-adenylyl sulfate (CHEBI:17709)
2'-phospho-5'-adenylyl sulfate (CHEBI:848) has functional parent adenosine 2',5'-bisphosphate (CHEBI:28355)
2'-phospho-5'-adenylyl sulfate (CHEBI:848) is a adenosine bisphosphate (CHEBI:22251)
IUPAC Names 
5'-O-[hydroxy(sulfooxy)phosphoryl]adenosine 2'-(dihydrogen phosphate)
2'-O-phosphono-5'-adenylyl sulfate
Synonyms  Source
2'-PhosphoadenylylsulfateKEGG COMPOUND
2'-phosphoadenylyl sulfateChEBI
Manual XrefsDatabases
C03568KEGG COMPOUND
Registry NumbersSources
Reaxys:15146055Reaxys