CHEBI:136952 - 6-(methylthio)hexyldesulfoglucosinolate

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ChEBI Name 6-(methylthio)hexyldesulfoglucosinolate
ChEBI ID CHEBI:136952
Definition An ω-(methylsulfany)alkyl desulfoglucosinolate in which the ω-(methylsulfanyl)alkyl group is specified as 6-(methylsulfanyl)hexyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H27NO6S2
Net Charge 0
Average Mass 369.500
Monoisotopic Mass 369.12798
InChI InChI=1S/C14H27NO6S2/c1-22-7-5-3-2-4-6-10(15-20)23-14-13(19)12(18)11(17)9(8-16)21-14/h9,11-14,16-20H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
InChIKey RTWFLPZWHKDFBK-LPUQOGTASA-N
SMILES S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCCCCCSC
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txidtxid3702) See: MetaboLights Study
Arabidopsis thaliana (NCBI:txidtxid3702) See: PubMed
Roles Classification
Biological Role(s): Arabidopsis thaliana metabolite
Any plant metabolite that is produced by Arabidopsis thaliana.
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ChEBI Ontology
Outgoing 6-(methylthio)hexyldesulfoglucosinolate (CHEBI:136952) has role Arabidopsis thaliana metabolite (CHEBI:140602)
6-(methylthio)hexyldesulfoglucosinolate (CHEBI:136952) is a ω-(methylsulfanyl)alkyl desulfoglucosinolate (CHEBI:136425)
IUPAC Name
1-S-[N-hydroxy-7-(methylsulfanyl)heptanimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
6-(methylsulfanyl)hexyldesulfoglucosinolate ChEBI
desulfoglucolesquerellin ChEBI
Manual Xref Database
CPDQT-417 MetaCyc
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Citation Waiting for Citations Type Source
27656890 PubMed citation Europe PMC
Last Modified
20 April 2018