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> Main
CHEBI:79329 - glucocochlearin
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ChEBI Name
glucocochlearin
ChEBI ID
CHEBI:79329
Definition
An alkylglucosinolic acid that consists of 1-thio-β-
D
-glucopyranose attached to a 2-methyl-
N
-(sulfooxy)butanimidoyl group at the anomeric sulfur.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H21NO9S2
Net Charge
0
Average Mass
375.418
Monoisotopic Mass
375.06577
InChI
InChI=1S/C11H21NO9S2/c1-
3-
5(2)
10(12-
21-
23(17,18)
19)
22-
11-
9(16)
8(15)
7(14)
6(4-
13)
20-
11/h5-
9,11,13-
16H,3-
4H2,1-
2H3,(H,17,18,19)
/b12-
10-
/t5?,6-
,7-
,8+,9-
,11+/m1/s1
InChIKey
TUSWQPFNQXCPGB-ANPCENJRSA-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)/C(CC)C
Metabolite of Species
Details
Armoracia rusticana
(NCBI:txid3704)
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
glucocochlearin (
CHEBI:79329
)
is a
alkylglucosinolic acid (
CHEBI:79327
)
glucocochlearin (
CHEBI:79329
)
is conjugate acid of
glucocochlearin(1−) (
CHEBI:5402
)
Incoming
glucocochlearin(1−) (
CHEBI:5402
)
is conjugate base of
glucocochlearin (
CHEBI:79329
)
IUPAC Name
1-
S
-
[(1
Z
)-
2-
methyl-
N
-
(sulfooxy)butanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Manual Xrefs
Databases
C00001468
KNApSAcK
C08407
KEGG COMPOUND
View more database links
Registry Number
Type
Source
8935270
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16764844
PubMed citation
Europe PMC
22162169
PubMed citation
Europe PMC
22779710
PubMed citation
Europe PMC
Last Modified
11 March 2016