CHEBI:133458 - desmethylnaproxen sulfate

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ChEBI Name desmethylnaproxen sulfate ChEBI ID CHEBI:133458 Definition A member of the class of naphthalenes that is naproxen in which the methoxy group has been replaced by a sulfooxy group. 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 C13H12O6S Net Charge 0 Average Mass 296.297 Monoisotopic Mass 296.03546 InChI InChI=1S/C13H12O6S/c1-8(13(14)15)9-2-3-11-7-12(19-20(16,17)18)5-4-10(11)6-9/h2-8H,1H3,(H,14,15)(H,16,17,18)/t8-/m0/s1 InChIKey BNKMSCMOWGCUOF-QMMMGPOBSA-N SMILES C1=CC(=CC2=C1C=C(C=C2)[C@@H](C(=O)O)C)OS(O)(=O)=O Metabolite of Species Details Cunninghamella blakeslesna (NCBI:txid155726) of strain AS 3.153 See: PubMed Cunninghamella elegans (NCBI:txid4853) of strain AS 3.156 See: PubMed Cunninghamella echinulata (NCBI:txid76405) of strain AS 3.2004 See: PubMed Homo sapiens (NCBI:txid9606) Found in plasma See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): drug metabolite fungal xenobiotic metabolite Any fungal metabolite produced by metabolism of a xenobiotic compound in fungi. View more via ChEBI Ontology ChEBI Ontology Outgoing desmethylnaproxen sulfate (CHEBI:133458) has functional parent naproxen (CHEBI:7476) desmethylnaproxen sulfate (CHEBI:133458) has role drug metabolite (CHEBI:49103) desmethylnaproxen sulfate (CHEBI:133458) has role fungal xenobiotic metabolite (CHEBI:76968) desmethylnaproxen sulfate (CHEBI:133458) is a aryl sulfate (CHEBI:37919) desmethylnaproxen sulfate (CHEBI:133458) is a monocarboxylic acid (CHEBI:25384) desmethylnaproxen sulfate (CHEBI:133458) is a naphthalenes (CHEBI:25477) desmethylnaproxen sulfate (CHEBI:133458) is conjugate acid of desmethylnaproxen sulfate anion (CHEBI:133459) Incoming desmethylnaproxen sulfate anion (CHEBI:133459) is conjugate base of desmethylnaproxen sulfate (CHEBI:133458) IUPAC Name (2S)-2-[6-(sulfooxy)naphthalen-2-yl]propanoic acid Synonyms Sources 6-desmethylnaproxen sulfate ChEBI Desmethylnaproxen-6-O-sulfate ChemIDplus O-desmethylnaproxen sulfate ChEBI Registry Number Type Source 69391-09-9 CAS Registry Number ChemIDplus Citations Types Sources 12740180 PubMed citation Europe PMC 16305588 PubMed citation Europe PMC 2566468 PubMed citation Europe PMC 3558575 PubMed citation Europe PMC Last Modified 28 September 2016