CHEBI:133663 - thymol sulfate(1−)

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ChEBI Name thymol sulfate(1−) ChEBI ID CHEBI:133663 ChEBI ASCII Name thymol sulfate(1-) Definition A phenyl sulfate oxoanion that is the conjugate base of thymol sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H13O4S Net Charge -1 Average Mass 229.274 Monoisotopic Mass 229.05400 InChI InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13)/p-1 InChIKey NODSEPOUFZPJEQ-UHFFFAOYSA-M SMILES C1(=C(C=C(C)C=C1)OS([O-])(=O)=O)C(C)C Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing thymol sulfate(1−) (CHEBI:133663) has functional parent thymol (CHEBI:27607) thymol sulfate(1−) (CHEBI:133663) has role human xenobiotic metabolite (CHEBI:76967) thymol sulfate(1−) (CHEBI:133663) is a phenyl sulfate oxoanion (CHEBI:140317) thymol sulfate(1−) (CHEBI:133663) is conjugate base of thymol sulfate (CHEBI:82911) Incoming thymol sulfate (CHEBI:82911) is conjugate acid of thymol sulfate(1−) (CHEBI:133663) IUPAC Name 5-methyl-2-(propan-2-yl)phenyl sulfate Synonym Source thymol sulfate ChEBI Manual Xref Database C09908 KEGG COMPOUND View more database links Registry Number Type Source 89-83-8 CAS Registry Number ChemIDplus Last Modified 04 April 2018