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ChEBI
> Main
CHEBI:5411 - gluconapin(1−)
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ChEBI Name
gluconapin(1−)
ChEBI ID
CHEBI:5411
ChEBI ASCII Name
gluconapin(1-)
Definition
An alkenylglucosinolate that is the conjugate base of gluconapin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H18NO9S2
Net Charge
-1
Average Mass
372.395
Monoisotopic Mass
372.04285
InChI
InChI=1S/C11H19NO9S2/c1-
2-
3-
4-
7(12-
21-
23(17,18)
19)
22-
11-
10(16)
9(15)
8(14)
6(5-
13)
20-
11/h2,6,8-
11,13-
16H,1,3-
5H2,(H,17,18,19)
/p-
1/b12-
7-
/t6-
,8-
,9+,10-
,11+/m1/s1
InChIKey
PLYQBXHVYUJNQB-IIPHORNXSA-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)/CCC=C
Metabolite of Species
Details
Brassica rapa
(NCBI:txid3711)
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
gluconapin(1−) (
CHEBI:5411
)
is a
alkenylglucosinolate (
CHEBI:36451
)
gluconapin(1−) (
CHEBI:5411
)
is conjugate base of
gluconapin (
CHEBI:79319
)
Incoming
ξ-progoitrin(1−) (
CHEBI:47798
)
has functional parent
gluconapin(1−) (
CHEBI:5411
)
glucoraphenin(1−) (
CHEBI:5416
)
has functional parent
gluconapin(1−) (
CHEBI:5411
)
gluconapin (
CHEBI:79319
)
is conjugate acid of
gluconapin(1−) (
CHEBI:5411
)
IUPAC Name
1-
S
-
[(1
Z
)-
N
-
(sulfonatooxy)pent-
4-
enimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
3-butenylglucosinolate
ChEBI
but-3-enylglucosinolate
ChEBI
gluconapin
UniProt
Gluconapin
KEGG COMPOUND
Manual Xref
Database
C08415
KEGG COMPOUND
View more database links
Registry Number
Type
Source
19041-09-9
CAS Registry Number
KEGG COMPOUND
Last Modified
11 June 2019