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CHEBI:58243 - 5'-adenylyl sulfate(2−)

ChEBI IDCHEBI:58243
ChEBI Name5'-adenylyl sulfate(2−)
Stars
ASCII Name5'-adenylyl sulfate(2-)
DefinitionAn organic dianion arising from deprotonation of the phosphate and sufate groups of 5'-adenylyl sulfate; major species at pH 7.3.
Last Modified21 January 2016
DownloadsMolfile
FormulaC10H12N5O10PS
Net Charge-2
Average Mass425.272
Monoisotopic Mass425.00535
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OS(=O)(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)/p-2/t4-,6-,7-,10-/m1/s1
InChIKeyIRLPACMLTUPBCL-KQYNXXCUSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
5'-adenylyl sulfate(2−) (CHEBI:58243) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
5'-adenylyl sulfate(2−) (CHEBI:58243) has role human metabolite (CHEBI:77746)
5'-adenylyl sulfate(2−) (CHEBI:58243) is a organophosphate oxoanion (CHEBI:58945)
5'-adenylyl sulfate(2−) (CHEBI:58243) is a organosulfate oxoanion (CHEBI:58958)
5'-adenylyl sulfate(2−) (CHEBI:58243) is conjugate base of 5'-adenylyl sulfate (CHEBI:17709)
Incoming Relation(s)
5'-adenylyl sulfate (CHEBI:17709) is conjugate acid of 5'-adenylyl sulfate(2−) (CHEBI:58243)
IUPAC Name 
5'-O-[(sulfonatooxy)phosphinato]adenosine
Synonym  Source
5'-adenylyl sulfate dianionChEBI
UniProt Name  Source
adenosine 5'-phosphosulfateUniProt