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

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ChEBI Name 2'-phospho-5'-adenylyl sulfate
ChEBI ID CHEBI:848
Definition An adenosine bisphosphate having monophosphate groups at the 2'- and 5'-positions and a sulfo group attached to the phosphate at position 5'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H15N5O13P2S
Net Charge 0
Average Mass 507.26400
Monoisotopic Mass 506.98623
InChI InChI=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
InChIKey SGNZKKOMSOPYFR-KQYNXXCUSA-N
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](O)[C@H]1OP(O)(O)=O
ChEBI Ontology
Outgoing 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
2'-O-phosphono-5'-adenylyl sulfate
5'-O-[hydroxy(sulfooxy)phosphoryl]adenosine 2'-(dihydrogen phosphate)
Synonyms Sources
2'-phosphoadenylyl sulfate ChEBI
2'-Phosphoadenylylsulfate KEGG COMPOUND
Manual Xref Database
C03568 KEGG COMPOUND
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Registry Number Type Source
15146055 Reaxys Registry Number Reaxys
Last Modified
14 July 2011