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CHEBI:136435 - ω-[(methylsulfinyl)alkyl]glucosinolate

ChEBI IDCHEBI:136435
ChEBI Nameω-[(methylsulfinyl)alkyl]glucosinolate
Stars
ASCII Nameomega-[(methylsulfinyl)alkyl]glucosinolate
DefinitionAn alkylglucosinolate resulting from the removal of the proton of the hydrogen sulfate group of any ω-[(methylsulfinyl)alkyl]glucosinolic acid.
Last Modified20 July 2018
SubmitterKristian Axelsen
DownloadsMolfile
Formula(CH2)n.C10H18NO10S3
Net Charge-1
Average Mass422.479
Monoisotopic Mass422.02548
SMILESCS(=O)CCC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/p-1/b12-7-/t6-,8-,9+,10-,11+,24?/m1/s1
InChIKeyPHYYADMVYQURSX-XEAHXTBRSA-M
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)
ω-[(methylsulfinyl)alkyl]glucosinolate (CHEBI:136435) is a alkylglucosinolate (CHEBI:36445)
ω-[(methylsulfinyl)alkyl]glucosinolate (CHEBI:136435) is conjugate base of ω-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260)
Incoming Relation(s)
ω-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260) is conjugate acid of ω-[(methylsulfinyl)alkyl]glucosinolate (CHEBI:136435)
UniProt Name  Source
an ω-(methylsulfinyl)-alkyl-glucosinolateUniProt
Manual XrefsDatabases
omega-methylsulfinylalkylglucosinolateMetaCyc