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> Main
CHEBI:79318 - glucobrassicanapin
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ChEBI Name
glucobrassicanapin
ChEBI ID
CHEBI:79318
Definition
An alkenylglucosinolic acid that consists of 1-thio-β-
D
-glucopyranose having a 6-[(sulfooxy)imino]hex-1-en-6-yl group attached to the anomeric sulfur.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C12H21NO9S2
Net Charge
0
Average Mass
387.429
Monoisotopic Mass
387.06577
InChI
InChI=1S/C12H21NO9S2/c1-
2-
3-
4-
5-
8(13-
22-
24(18,19)
20)
23-
12-
11(17)
10(16)
9(15)
7(6-
14)
21-
12/h2,7,9-
12,14-
17H,1,3-
6H2,(H,18,19,20)
/b13-
8-
/t7-
,9-
,10+,11-
,12+/m1/s1
InChIKey
XMJFVIGTHMOGNZ-AHMUMSBHSA-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)/CCCC=C
Metabolite of Species
Details
Brassica rapa
subsp.
pekinensis
(NCBI:txid51351)
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
glucobrassicanapin (
CHEBI:79318
)
is a
alkenylglucosinolic acid (
CHEBI:79315
)
glucobrassicanapin (
CHEBI:79318
)
is conjugate acid of
glucobrassicanapin(1−) (
CHEBI:5397
)
Incoming
gluconapoleiferin (
CHEBI:79349
)
has functional parent
glucobrassicanapin (
CHEBI:79318
)
glucobrassicanapin(1−) (
CHEBI:5397
)
is conjugate base of
glucobrassicanapin (
CHEBI:79318
)
IUPAC Name
1-
S
-
[(1
Z
)-
N
-
(sulfooxy)hex-
5-
enimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonym
Source
4-Pentenyl glucosinolate
KEGG COMPOUND
Manual Xrefs
Databases
C00001463
KNApSAcK
C08403
KEGG COMPOUND
HMDB0038417
HMDB
View more database links
Registry Numbers
Types
Sources
1440916
Reaxys Registry Number
Reaxys
19041-10-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23881053
PubMed citation
Europe PMC
24678843
PubMed citation
Europe PMC
24868877
PubMed citation
Europe PMC
Last Modified
11 March 2016