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CHEBI:137257 - ω-[(methylsulfanyl)alkyl]glucosinolic acid

ChEBI IDCHEBI:137257
ChEBI Nameω-[(methylsulfanyl)alkyl]glucosinolic acid
Stars
ASCII Nameomega-[(methylsulfanyl)alkyl]glucosinolic acid
DefinitionA thia-alkylglucosinolic acid in which the thia-alkyl substituent can be any ω-(methylsulfanyl)alkyl group.
Last Modified20 July 2018
SubmitterSteve
DownloadsMolfile
Formula(CH2)n.C10H19NO9S3
Net Charge0
Average Mass407.488
Monoisotopic Mass407.03784
SMILESCSCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7-/t6-,8-,9+,10-,11+/m1/s1
InChIKeyZCZCVJVUJGULMO-IIPHORNXSA-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)
ω-[(methylsulfanyl)alkyl]glucosinolic acid (CHEBI:137257) is a thia-alkylglucosinolic acid (CHEBI:79322)
ω-[(methylsulfanyl)alkyl]glucosinolic acid (CHEBI:137257) is conjugate acid of ω-[(methylsulfanyl)alkyl]glucosinolate (CHEBI:136434)
Incoming Relation(s)
ω-[(methylsulfanyl)alkyl]glucosinolate (CHEBI:136434) is conjugate base of ω-[(methylsulfanyl)alkyl]glucosinolic acid (CHEBI:137257)
Synonym  Source
ω-[(methylsulfanyl)alkyl]glucosinolic acidsChEBI
Manual XrefsDatabases
Aliphatic-glucosinolatesMetaCyc