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CHEBI:137260 - ω-[(methylsulfinyl)alkyl]glucosinolic acid

Default Structure
ChEBI IDCHEBI:137260
ChEBI Nameω-[(methylsulfinyl)alkyl]glucosinolic acid
Stars
ASCII Nameomega-[(methylsulfinyl)alkyl]glucosinolic acid
DefinitionAn alkylglucosinolic acid in which the alkyl substituent can be any ω-(methylsulfanyl)alkyl group.
Last Modified20 July 2018
SubmitterSteve
DownloadsMolfile
Formula(CH2)n.C10H19NO10S3
Net Charge0
Average Mass423.487
Monoisotopic Mass423.03276
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)/b12-7-/t6-,8-,9+,10-,11+,24?/m1/s1
InChIKeyPHYYADMVYQURSX-XEAHXTBRSA-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-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260) is a alkylglucosinolic acid (CHEBI:79327)
ω-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260) is a sulfoxide (CHEBI:22063)
ω-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260) is conjugate acid of ω-[(methylsulfinyl)alkyl]glucosinolate (CHEBI:136435)
Incoming Relation(s)
glucoalyssin (CHEBI:5395) is a ω-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260)
glucohesperin (CHEBI:136956) is a ω-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260)
ω-[(methylsulfinyl)alkyl]glucosinolate (CHEBI:136435) is conjugate base of ω-[(methylsulfinyl)alkyl]glucosinolic acid (CHEBI:137260)
Synonym  Source
ω-[(methylsulfinyl)alkyl]glucosinolic acidsChEBI
Manual XrefsDatabases
omega-methylsulfinylalkylglucosinolateMetaCyc