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> Main
CHEBI:5395 - glucoalyssin
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ChEBI Name
glucoalyssin
ChEBI ID
CHEBI:5395
Definition
A thia-glucosinolic acid that is glucoberteroin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C13H25NO10S3
Net Charge
0
Average Mass
451.520
Monoisotopic Mass
451.06406
InChI
InChI=1S/C13H25NO10S3/c1-
26(19)
6-
4-
2-
3-
5-
9(14-
24-
27(20,21)
22)
25-
13-
12(18)
11(17)
10(16)
8(7-
15)
23-
13/h8,10-
13,15-
18H,2-
7H2,1H3,(H,20,21,22)
/b14-
9-
/t8-
,10-
,11+,12-
,13+,26?/m1/s1
InChIKey
HUCGRJSHMZWRQQ-PWGYDFSISA-N
SMILES
[C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CCCCCS(C)=O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
glucosinolic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glucoalyssin (
CHEBI:5395
)
has functional parent
glucoberteroin (
CHEBI:79324
)
glucoalyssin (
CHEBI:5395
)
has functional parent
pentylglucosinolic acid (
CHEBI:79340
)
glucoalyssin (
CHEBI:5395
)
is a
ω-[(methylsulfinyl)alkyl]glucosinolic acid (
CHEBI:137260
)
IUPAC Name
1-
S
-
[(1
Z
)-
6-
(methylsulfinyl)-
N
-
(sulfonatooxy)hexanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
5-Methylsulfinylpentyl glucosinolate
KEGG COMPOUND
beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)
KEGG COMPOUND
Glucoalyssin
KEGG COMPOUND
Manual Xrefs
Databases
C00007345
KNApSAcK
C08400
KEGG COMPOUND
View more database links
Registry Number
Type
Source
499-37-6
CAS Registry Number
KEGG COMPOUND
Last Modified
18 October 2019