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CHEBI:80988 - 7-Methylthioheptyl glucosinolate

Default Structure
ChEBI IDCHEBI:80988
ChEBI Name7-Methylthioheptyl glucosinolate
Stars
DownloadsMolfile
FormulaC15H29NO9S3
Net Charge0
Average Mass463.596
Monoisotopic Mass463.10044
SMILESCSCCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/t10-,12-,13+,14-,15+/m1/s1
InChIKeySJHVRBSHKTUXLG-LFHLZQBKSA-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)
7-Methylthioheptyl glucosinolate (CHEBI:80988) is a glucosinolate (CHEBI:24279)
Manual XrefsDatabases
C17252KEGG COMPOUND