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> Main
CHEBI:132553 - glucoibarin
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ChEBI Name
glucoibarin
ChEBI ID
CHEBI:132553
Definition
An alkylglucosinolic acid that is 1-thio-β-
D
-glucose in which the anomeric sulfanyl hydrogen has been replaced by a 8-(methanesulfinyl)-
N
-(sulfooxy)octanimidoyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C15H29NO10S3
Net Charge
0
Average Mass
479.590
Monoisotopic Mass
479.09536
InChI
InChI=1S/C15H29NO10S3/c1-
28(21)
8-
6-
4-
2-
3-
5-
7-
11(16-
26-
29(22,23)
24)
27-
15-
14(20)
13(19)
12(18)
10(9-
17)
25-
15/h10,12-
15,17-
20H,2-
9H2,1H3,(H,22,23,24)
/t10-
,12-
,13+,14-
,15+,28?/m1/s1
InChIKey
LQZALQLZOQQFGM-MMLSCURJSA-N
SMILES
O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1SC(CCCCCCCS(C)=O)=NOS(O)(=O)=O)O)O)O)CO
Metabolite of Species
Details
Arabidopsis thaliana
(NCBI:txid3702)
See:
MetaboLights Study
Armoracia rusticana
(NCBI:txid3704)
Found in root
(BTO:0001188)
. 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
glucoibarin (
CHEBI:132553
)
has role
plant metabolite (
CHEBI:76924
)
glucoibarin (
CHEBI:132553
)
is a
glucosinolic acid (
CHEBI:79316
)
glucoibarin (
CHEBI:132553
)
is a
sulfoxide (
CHEBI:22063
)
IUPAC Name
1-
S
-
[8-
(methanesulfinyl)-
N
-
(sulfooxy)octanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
7-(Methylsulfinyl)heptyl glucosinolate
KNApSAcK
7-(methylsulfinyl)heptyl glucosinolic acid
ChEBI
Manual Xrefs
Databases
24784931
ChemSpider
C00007352
KNApSAcK
CPDQT-295
MetaCyc
View more database links
Registry Numbers
Types
Sources
112572-51-7
CAS Registry Number
KNApSAcK
8950935
Reaxys Registry Number
Reaxys
Citation
Type
Source
22779710
PubMed citation
Europe PMC
Last Modified
18 January 2017