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> Main
CHEBI:5402 - glucocochlearin(1−)
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ChEBI Name
glucocochlearin(1−)
ChEBI ID
CHEBI:5402
ChEBI ASCII Name
glucocochlearin(1-)
Definition
An alkylglucosinolate that is the conjugate base of glucocochlearin.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H20NO9S2
Net Charge
-1
Average Mass
374.410
Monoisotopic Mass
374.05850
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)
/p-
1/b12-
10-
/t5?,6-
,7-
,8+,9-
,11+/m1/s1
InChIKey
TUSWQPFNQXCPGB-ANPCENJRSA-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(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
glucosinolate
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glucocochlearin(1−) (
CHEBI:5402
)
is a
alkylglucosinolate (
CHEBI:36445
)
glucocochlearin(1−) (
CHEBI:5402
)
is conjugate base of
glucocochlearin (
CHEBI:79329
)
Incoming
glucocochlearin (
CHEBI:79329
)
is conjugate acid of
glucocochlearin(1−) (
CHEBI:5402
)
IUPAC Name
1-
S
-
[(1
Z
)-
2-
methyl-
N
-
(sulfonatooxy)butanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
1-Methylpropyl glucosinolate
KEGG COMPOUND
1-methylpropylglucosinolate
ChEBI
Glucocochlearin
KEGG COMPOUND
sec
-butylglucosinolate
ChEBI
Manual Xrefs
Databases
C00001468
KNApSAcK
C08407
KEGG COMPOUND
View more database links
Registry Number
Type
Source
499-24-1
CAS Registry Number
KEGG COMPOUND
Last Modified
11 March 2016