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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
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