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ChEBI
> Main
CHEBI:79326 - glucoiberverin
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ChEBI Ontology
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ChEBI Name
glucoiberverin
ChEBI ID
CHEBI:79326
Definition
An thia-alkylglucosinolic acid that is propylglucosinolic acid in which a hydrogen attached to the terminal carbon of the propyl group has been replaced by a methylsulfanediyl group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C11H21NO9S3
Net Charge
0
Average Mass
407.484
Monoisotopic Mass
407.03784
InChI
InChI=1S/C11H21NO9S3/c1-
22-
4-
2-
3-
7(12-
21-
24(17,18)
19)
23-
11-
10(16)
9(15)
8(14)
6(5-
13)
20-
11/h6,8-
11,13-
16H,2-
5H2,1H3,(H,17,18,19)
/b12-
7-
/t6-
,8-
,9+,10-
,11+/m1/s1
InChIKey
ZCZCVJVUJGULMO-IIPHORNXSA-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)/CCCSC
Metabolite of Species
Details
Eruca vesicaria
subsp.
sativa
(NCBI:txid29727)
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
glucoiberverin (
CHEBI:79326
)
has functional parent
propylglucosinolic acid (
CHEBI:79341
)
glucoiberverin (
CHEBI:79326
)
is a
organic sulfide (
CHEBI:16385
)
glucoiberverin (
CHEBI:79326
)
is a
thia-alkylglucosinolic acid (
CHEBI:79322
)
glucoiberverin (
CHEBI:79326
)
is conjugate acid of
glucoiberverin(1−) (
CHEBI:5407
)
Incoming
glucoiberverin(1−) (
CHEBI:5407
)
is conjugate base of
glucoiberverin (
CHEBI:79326
)
IUPAC Name
1-
S
-
[(1
Z
)-
4-
(methylsulfanyl)-
N
-
(sulfooxy)butanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonym
Source
3-Methylthiopropyl glucosinolate
KEGG COMPOUND
Manual Xrefs
Databases
C00001473
KNApSAcK
C08412
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1440252
Reaxys Registry Number
Reaxys
26888-03-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19229477
PubMed citation
Europe PMC
19489541
PubMed citation
Europe PMC
24170324
PubMed citation
Europe PMC
Last Modified
18 March 2016