CHEBI:15911 - desulfoglucotropeolin

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ChEBI Name desulfoglucotropeolin
ChEBI ID CHEBI:15911
Definition A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy(phenyl)ethanethioamide with β-D-glucopyranose.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:4455, CHEBI:14131, CHEBI:23647
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Formula C14H19NO6S
Net Charge 0
Average Mass 329.370
Monoisotopic Mass 329.09331
InChI InChI=1S/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/t9-,11-,12+,13-,14+/m1/s1
InChIKey QXWFHEDNDCNERW-LPUQOGTASA-N
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NO)CC=2C=CC=CC2
ChEBI Ontology
Outgoing desulfoglucotropeolin (CHEBI:15911) is a desulfoglucosinolic acid (CHEBI:136442)
Incoming glucotropeolin (CHEBI:17127) has functional parent desulfoglucotropeolin (CHEBI:15911)
(Z)-desulfoglucotropeolin (CHEBI:136422) is a desulfoglucotropeolin (CHEBI:15911)
IUPAC Name
1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-β-D-glucopyranose
Synonyms Sources
Desulfoglucotropeolin KEGG COMPOUND
desulfoglucotropeolin UniProt
Manual Xref Database
C01069 KEGG COMPOUND
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Registry Number Type Source
39056 Reaxys Registry Number Reaxys
Last Modified
07 March 2017