CHEBI:136954 - desulfogluconasturtiin

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ChEBI Name desulfogluconasturtiin ChEBI ID CHEBI:136954 Definition A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-phenylpropanethioamide with β-D-glucopyranose. 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 C15H21NO6S Net Charge 0 Average Mass 343.397 Monoisotopic Mass 343.10896 InChI InChI=1S/C15H21NO6S/c17-8-10-12(18)13(19)14(20)15(22-10)23-11(16-21)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-21H,6-8H2/t10-,12-,13+,14-,15+/m1/s1 InChIKey HJUSVMWTCVFYOA-LFHLZQBKSA-N SMILES S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCC=2C=CC=CC2 Metabolite of Species Details Arabidopsis thaliana (NCBI:txid3702) See: PubMed Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study Roles Classification Biological Role(s): Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. View more via ChEBI Ontology ChEBI Ontology Outgoing desulfogluconasturtiin (CHEBI:136954) has role Arabidopsis thaliana metabolite (CHEBI:140602) desulfogluconasturtiin (CHEBI:136954) is a desulfoglucosinolic acid (CHEBI:136442) IUPAC Name 1-S-(N-hydroxy-3-phenylpropanimidoyl)-1-thio-β-D-glucopyranose Synonyms Sources 2-phenylethyl-desulfoglucosinolate ChEBI 2-phenylethyldesulfoglucosinolate ChEBI Registry Number Type Source 18889633 Reaxys Registry Number Reaxys Citation Type Source 27656890 PubMed citation Europe PMC Last Modified 20 April 2018