CHEBI:182532 - Adenosine 5'-phosphosulfate sodium salt

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ChEBI Name Adenosine 5'-phosphosulfate sodium salt
ChEBI ID CHEBI:182532
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H13N5O10PS.Na
Net Charge 0
Average Mass 449.260
Monoisotopic Mass 449.00184
InChI InChI=1S/C10H14N5O10PS.Na/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);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey JYPWXEPVDQGNMS-MCDZGGTQSA-M
SMILES S(OP(OC[C@H]1O[C@@H](N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@@H]1O)(O)=O)([O-])(=O)=O.[Na+]
ChEBI Ontology
Outgoing Adenosine 5'-phosphosulfate sodium salt (CHEBI:182532) is a purine ribonucleoside monophosphate (CHEBI:26397)
IUPAC Name
sodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] sulate
Manual Xref Database
17346283 ChemSpider
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