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> Main
CHEBI:5399 - glucocapparin(1−)
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ChEBI Name
glucocapparin(1−)
ChEBI ID
CHEBI:5399
ChEBI ASCII Name
glucocapparin(1-)
Definition
An alkylglucosinolate that is the conjugate base of glucocapparin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H14NO9S2
Net Charge
-1
Average Mass
332.331
Monoisotopic Mass
332.01155
InChI
InChI=1S/C8H15NO9S2/c1-
3(9-
18-
20(14,15)
16)
19-
8-
7(13)
6(12)
5(11)
4(2-
10)
17-
8/h4-
8,10-
13H,2H2,1H3,(H,14,15,16)
/p-
1/b9-
3-
/t4-
,5-
,6+,7-
,8+/m1/s1
InChIKey
UBTOEGCOMHAXGV-VECAIYLJSA-M
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
Metabolite of Species
Details
Peritoma arborea
(NCBI:txid171228)
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
glucosinolate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glucocapparin(1−) (
CHEBI:5399
)
is a
alkylglucosinolate (
CHEBI:36445
)
glucocapparin(1−) (
CHEBI:5399
)
is conjugate base of
glucocapparin (
CHEBI:79328
)
Incoming
glucocapparin (
CHEBI:79328
)
is conjugate acid of
glucocapparin(1−) (
CHEBI:5399
)
IUPAC Name
1-
S
-
[(1
Z
)-
N
-
(sulfonatooxy)ethanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonym
Source
Glucocapparin
KEGG COMPOUND
Manual Xref
Database
C08404
KEGG COMPOUND
View more database links
Registry Number
Type
Source
497-77-8
CAS Registry Number
KEGG COMPOUND
Last Modified
11 March 2016