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

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ChEBI Name 3'-phospho-5'-adenylyl sulfate ChEBI ID CHEBI:17980 Definition An adenosine bisphosphate having monophosphate groups at the 3'- 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. Secondary ChEBI IDs CHEBI:11679, CHEBI:11680, CHEBI:19857, CHEBI:1353 Supplier Information ChemicalBook:CB5853861, ChemicalBook:CB11342474, eMolecules:10525132, eMolecules:475133, ZINC000008214514 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H15N5O13P2S Net Charge 0 Average Mass 507.26552 Monoisotopic Mass 506.98623 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)/t4-,6-,7-,10-/m1/s1 InChIKey GACDQMDRPRGCTN-KQYNXXCUSA-N 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 Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Escherichia coli (NCBI:txid562) See: PubMed Roles Classification Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources 3'-Phospho-5'-adenylyl sulfate KEGG COMPOUND 3'-phospho-5'-adenylyl sulfate ChEBI 3'-Phosphoadenosine 5'-phosphosulfate KEGG COMPOUND 3'-phosphoadenosine 5'-phosphosulfate ChEBI 3'-Phosphoadenylyl sulfate KEGG COMPOUND PAPS KEGG COMPOUND Manual Xrefs Databases C00007446 KNApSAcK C00053 KEGG COMPOUND PPS PDBeChem View more database links Registry Number Type Source 482-67-7 CAS Registry Number KEGG COMPOUND Last Modified 27 January 2016