CHEBI:136953 - 3-butenyldesulfoglucosinolate

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ChEBI Name 3-butenyldesulfoglucosinolate ChEBI ID CHEBI:136953 Definition A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxypent-4-enethioamide 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 C11H19NO6S Net Charge 0 Average Mass 293.338 Monoisotopic Mass 293.09331 InChI InChI=1S/C11H19NO6S/c1-2-3-4-7(12-17)19-11-10(16)9(15)8(14)6(5-13)18-11/h2,6,8-11,13-17H,1,3-5H2/t6-,8-,9+,10-,11+/m1/s1 InChIKey GDASSSSLIRTWJZ-ZHVGPZTNSA-N SMILES S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCC=C Metabolite of Species Details Arabidopsis thaliana (NCBI:txid3702) See: PubMed Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study Brassica napus (NCBI:txid3708) Found in seed (BTO:0001226). See: CBA:648112 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 3-butenyldesulfoglucosinolate (CHEBI:136953) has role Arabidopsis thaliana metabolite (CHEBI:140602) 3-butenyldesulfoglucosinolate (CHEBI:136953) is a desulfoglucosinolic acid (CHEBI:136442) IUPAC Name 1-S-(N-hydroxypent-4-enimidoyl)-1-thio-β-D-glucopyranose Synonym Source desulfogluconapin ChEBI Registry Number Type Source 18889630 Reaxys Registry Number Reaxys Citation Type Source 648112 Chinese Abstracts citation Europe PMC Last Modified 20 April 2018