CHEBI:136951 - desulfoglucoiberin

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ChEBI Name desulfoglucoiberin ChEBI ID CHEBI:136951 Definition A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-(methylsulfinyl)butanethioamide 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 C11H21NO7S2 Net Charge 0 Average Mass 343.420 Monoisotopic Mass 343.07594 InChI InChI=1S/C11H21NO7S2/c1-21(18)4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)19-11/h6,8-11,13-17H,2-5H2,1H3/t6-,8-,9+,10-,11+,21?/m1/s1 InChIKey LWGGAXGVBFJDJE-WSCIRIJQSA-N SMILES O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1SC(CCCS(=O)C)=NO)O)O)O)CO Metabolite of Species Details Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study Arabidopsis thaliana (NCBI:txid3702) See: PubMed 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 desulfoglucoiberin (CHEBI:136951) has role Arabidopsis thaliana metabolite (CHEBI:140602) desulfoglucoiberin (CHEBI:136951) is a desulfoglucosinolic acid (CHEBI:136442) IUPAC Name 1-S-[N-hydroxy-4-(methanesulfinyl)butanimidoyl]-1-thio-β-D-glucopyranose Synonyms Sources 3-(methylsulfinyl)propyldesulfoglucosinolate ChEBI 3-methylsulfinylpropyl-desulfoglucosinolate ChEBI 3-methylsulfinylpropyldesulfoglucosinolate ChEBI Registry Number Type Source 6428268 Reaxys Registry Number Reaxys Citation Type Source 27656890 PubMed citation Europe PMC Last Modified 20 April 2018