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CHEBI:80989 - 8-Methylthiooctyl glucosinolate

Default Structure
ChEBI IDCHEBI:80989
ChEBI Name8-Methylthiooctyl glucosinolate
Stars
DownloadsMolfile
FormulaC16H31NO9S3
Net Charge0
Average Mass477.623
Monoisotopic Mass477.11609
SMILESCSCCCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H31NO9S3/c1-27-9-7-5-3-2-4-6-8-12(17-26-29(22,23)24)28-16-15(21)14(20)13(19)11(10-18)25-16/h11,13-16,18-21H,2-10H2,1H3,(H,22,23,24)/t11-,13-,14+,15-,16+/m1/s1
InChIKeyCWOJBEDMJKZKAB-JZYAIQKZSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
8-Methylthiooctyl glucosinolate (CHEBI:80989) is a glucosinolate (CHEBI:24279)
Manual XrefsDatabases
C17254KEGG COMPOUND