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CHEBI:169227 - 6-Thioinosinic acid

ChEBI IDCHEBI:169227
ChEBI Name6-Thioinosinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14N4O6S
Net Charge0
Average Mass330.322
Monoisotopic Mass330.06341
SMILESO=C(O)C1(S)N=CN=C2C1=NCN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N4O6S/c16-1-4-5(17)6(18)9(21-4)15-3-13-7-8(15)12-2-14-11(7,22)10(19)20/h2,4-6,9,16-18,22H,1,3H2,(H,19,20)/t4-,5-,6-,9-,11?/m1/s1
InChIKeyWEEJFVGJRBAOSV-LNYQSQCFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
6-Thioinosinic acid (CHEBI:169227) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-sulanyl-8H-purine-6-carboxylic acid