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> Main
CHEBI:79331 - glucoputranjivin
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ChEBI Name
glucoputranjivin
ChEBI ID
CHEBI:79331
Definition
An alkylglucosinolic acid that consists of 1-thio-β-
D
-glucopyranose attached to a 2-methyl-
N
-(sulfooxy)propanimidoyl group at the anomeric sulfur.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H19NO9S2
Net Charge
0
Average Mass
361.392
Monoisotopic Mass
361.05012
InChI
InChI=1S/C10H19NO9S2/c1-
4(2)
9(11-
20-
22(16,17)
18)
21-
10-
8(15)
7(14)
6(13)
5(3-
12)
19-
10/h4-
8,10,12-
15H,3H2,1-
2H3,(H,16,17,18)
/b11-
9-
/t5-
,6-
,7+,8-
,10+/m1/s1
InChIKey
WGIQZGDVCQDPTG-WUBUQRIPSA-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)/C(C)C
Metabolite of Species
Details
Sisymbrium officinale
(NCBI:txid203582)
See:
PubMed
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
glucoputranjivin (
CHEBI:79331
)
is a
alkylglucosinolic acid (
CHEBI:79327
)
glucoputranjivin (
CHEBI:79331
)
is conjugate acid of
glucoputranjivin(1−) (
CHEBI:5414
)
Incoming
glucoputranjivin(1−) (
CHEBI:5414
)
is conjugate base of
glucoputranjivin (
CHEBI:79331
)
IUPAC Name
1-
S
-
[(1
Z
)-
2-
methyl-
N
-
(sulfooxy)propanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonym
Source
1-Methylethyl glucosinolate
KEGG COMPOUND
Manual Xrefs
Databases
C00001479
KNApSAcK
C08418
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
18432-16-1
CAS Registry Number
KEGG COMPOUND
45580
Reaxys Registry Number
Reaxys
Citation
Type
Source
23193942
PubMed citation
Europe PMC
Last Modified
11 March 2016