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> Main
CHEBI:136950 - 5-(methylthio)pentyldesulfoglucosinolate
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ChEBI Ontology
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ChEBI Name
5-(methylthio)pentyldesulfoglucosinolate
ChEBI ID
CHEBI:136950
Definition
An ω-(methylsulfany)alkyl desulfoglucosinolate in which the ω-(methylsulfany)alkyl group is specified as 5-(methylsulfanyl)pentyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C13H25NO6S2
Net Charge
0
Average Mass
355.473
Monoisotopic Mass
355.11233
InChI
InChI=1S/C13H25NO6S2/c1-
21-
6-
4-
2-
3-
5-
9(14-
19)
22-
13-
12(18)
11(17)
10(16)
8(7-
15)
20-
13/h8,10-
13,15-
19H,2-
7H2,1H3/t8-
,10-
,11+,12-
,13+/m1/s1
InChIKey
HKIBRYCZLMJRFT-ZMHPAJMFSA-N
SMILES
S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NO)CCCCCSC
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
5-(methylthio)pentyldesulfoglucosinolate (
CHEBI:136950
)
has role
Arabidopsis thaliana
metabolite (
CHEBI:140602
)
5-(methylthio)pentyldesulfoglucosinolate (
CHEBI:136950
)
is a
ω-(methylsulfanyl)alkyl desulfoglucosinolate (
CHEBI:136425
)
IUPAC Name
1-
S
-
[
N
-
hydroxy-
6-
(methylsulfanyl)hexanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
5-(methylsulfanyl)pentyldesulfoglucosinolate
ChEBI
desulfoglucoberteroin
ChEBI
Manual Xrefs
Databases
C00007624
KNApSAcK
CPDQT-285
MetaCyc
View more database links
Registry Number
Type
Source
22352935
Reaxys Registry Number
Reaxys
Last Modified
20 April 2018