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CHEBI:136952 - 6-(methylthio)hexyldesulfoglucosinolate
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ChEBI Ontology
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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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Molfile
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Molfile
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:txid3702)
See:
MetaboLights Study
Arabidopsis thaliana
(NCBI:txid3702)
See:
PubMed
Roles Classification
Biological Role
(s):
Arabidopsis thaliana metabolite
Any plant metabolite that is produced by
Arabidopsis thaliana
.
View more via ChEBI Ontology
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
View more database links
Citation
Type
Source
27656890
PubMed citation
Europe PMC
Last Modified
20 April 2018