CHEBI:80985 - 3-Methylthiopropyl-desulfoglucosinolate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-Methylthiopropyl-desulfoglucosinolate ChEBI ID CHEBI:80985 Stars This entity has been manually annotated by a third party. 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 C11H21NO6S2 Net Charge 0 Average Mass 327.420 Monoisotopic Mass 327.08103 InChI InChI=1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7-/t6-,8-,9+,10-,11+/m1/s1 InChIKey OYTRJEKRRFSKHF-IIPHORNXSA-N SMILES [C@@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)S/C(/CCCSC)=N\O ChEBI Ontology Outgoing 3-Methylthiopropyl-desulfoglucosinolate (CHEBI:80985) is a S-glycosyl compound (CHEBI:35275) Synonym Source Desulfoglucoibervirin ChEBI Manual Xref Database C17244 KEGG COMPOUND View more database links Last Modified 03 May 2017