CHEBI:136527 - (Z)-indolylmethyl desulfoglucosinolate

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ChEBI Name (Z)-indolylmethyl desulfoglucosinolate
ChEBI ID CHEBI:136527
ChEBI ASCII Name (Z)-indolylmethyl desulfoglucosinolate
Definition An indolylmethyl desulfoglucosinolate in which the C=N double bond has Z configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H20N2O6S
Net Charge 0
Average Mass 368.407
Monoisotopic Mass 368.10421
InChI InChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16+/m1/s1
InChIKey CWNIQCOMWQROPA-PIAXYHQTSA-N
SMILES [C@H]1(S/C(=N\O)/CC=2C3=CC=CC=C3NC2)[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O
ChEBI Ontology
Outgoing (Z)-indolylmethyl desulfoglucosinolate (CHEBI:136527) is a indolylmethyl desulfoglucosinolate (CHEBI:80545)
IUPAC Name
1-1-S-[(1Z)-N-hydroxy-2-(1H-indol-3-yl)ethanimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
(Z)-desulfoglucobrassicin ChEBI
(Z)-indolylmethyl desulfoglucosinolate UniProt
(Z)-indolylmethyl-desulfoglucosinolate ChEBI
(Z)-indolylmethyldesulfoglucosinolate ChEBI
Registry Number Type Source
3568754 Reaxys Registry Number Reaxys
Last Modified
08 December 2021