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CHEBI:191063 - Adenosine, cyclic 3',5'-[hydrogen [p(s)]-phosphorothioate]

ChEBI IDCHEBI:191063
ChEBI NameAdenosine, cyclic 3',5'-[hydrogen [p(s)]-phosphorothioate]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12N5O5PS
Net Charge0
Average Mass345.277
Monoisotopic Mass345.02968
SMILES[H][C@@]12COP(O)(=S)O[C@@]1([H])[C@@H](O)[C@H](n1cnc3c(N)ncnc31)O2
InChIInChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21?/m1/s1
InChIKeySMPNJFHAPJOHPP-JOILOJCLSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Adenosine, cyclic 3',5'-[hydrogen [p(s)]-phosphorothioate] (CHEBI:191063) is a nucleoside 3',5'-cyclic phosphorothioate (CHEBI:85287)
IUPAC Name 
(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-sulanylidene-4a,6,7,7a-tetrahydro-4H-uro[3,2-d][1,3,2]dioxaphosphinin-7-ol
Manual XrefsDatabases
5257486ChemSpider
Registry NumbersSources
CAS:23645-17-2ChemIDplus