CHEBI:58339 - 3'-phosphonato-5'-adenylyl sulfate(4−)

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ChEBI Name 3'-phosphonato-5'-adenylyl sulfate(4−)
ChEBI ID CHEBI:58339
ChEBI ASCII Name 3'-phosphonato-5'-adenylyl sulfate(4-)
Definition A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate and sufate groups of 3'-phosphonato-5'-adenylyl sulfate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000001530031
Download Molfile XML SDF
Formula C10H11N5O13P2S
Net Charge -4
Average Mass 503.23300
Monoisotopic Mass 502.95712
InChI InChI=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)/p-4/t4-,6-,7-,10-/m1/s1
InChIKey GACDQMDRPRGCTN-KQYNXXCUSA-J
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OS([O-])(=O)=O)[C@@H](OP([O-])([O-])=O)[C@H]1O
Metabolite of Species Details
Saccharomyces cerevisiae (NCBI:txid4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339) has role human metabolite (CHEBI:77746)
3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339) is a organophosphate oxoanion (CHEBI:58945)
3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339) is a organosulfate oxoanion (CHEBI:58958)
3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339) is conjugate base of 3'-phospho-5'-adenylyl sulfate (CHEBI:17980)
Incoming 3'-phospho-5'-adenylyl sulfate (CHEBI:17980) is conjugate acid of 3'-phosphonato-5'-adenylyl sulfate(4−) (CHEBI:58339)
IUPAC Name
3'-O-phosphonato-5'-O-[(sulfonatooxy)phosphinato]adenosine
Synonyms Sources
3'-phosphoadenylyl sulfate UniProt
3'-phosphonato-5'-adenylyl sulfate ChEBI
3'-phosphonato-5'-adenylyl sulfate tetraanion ChEBI
3'-phosphonatoadenosine 5'-phosphosulfate ChEBI
3'-phosphonatoadenosine 5'-phosphosulfate tetraanion ChEBI
3'-phosphonatoadenosine 5'-phosphosulfate(4−) ChEBI
PAPS ChEBI
PAPS tetraanion ChEBI
PAPS(4−) ChEBI
Registry Number Type Source
8173805 Reaxys Registry Number Reaxys
Last Modified
21 January 2016