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> Main
CHEBI:136956 - glucohesperin
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ChEBI Ontology
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ChEBI Name
glucohesperin
ChEBI ID
CHEBI:136956
Definition
An ω-[(methylsulfiny)alkyl]glucosinolic acid in which the ω-(methylsulfinyl)alkyl group is specified as 6-(methylsulfinyl)hexyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C14H27NO10S3
Net Charge
0
Average Mass
465.564
Monoisotopic Mass
465.07971
InChI
InChI=1S/C14H27NO10S3/c1-
27(20)
7-
5-
3-
2-
4-
6-
10(15-
25-
28(21,22)
23)
26-
14-
13(19)
12(18)
11(17)
9(8-
16)
24-
14/h9,11-
14,16-
19H,2-
8H2,1H3,(H,21,22,23)
/t9-
,11-
,12+,13-
,14+,27?/m1/s1
InChIKey
OOGAQHVYHLPICD-DNDZILKHSA-N
SMILES
S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NOS(O)(=O)=O)CCCCCCS(C)=O
Metabolite of Species
Details
Hesperis matronalis
(NCBI:txid264418)
See: AGR:IND44562811
Arabidopsis thaliana
(NCBI:txid3702)
See:
MetaboLights Study
Arabidopsis thaliana
(NCBI:txid3702)
See:
PubMed
Roles Classification
Biological Role
(s):
Arabidopsis thaliana metabolite
Any plant metabolite that is produced by
Arabidopsis thaliana
.
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
glucohesperin (
CHEBI:136956
)
has role
Arabidopsis thaliana
metabolite (
CHEBI:140602
)
glucohesperin (
CHEBI:136956
)
is a
ω-[(methylsulfinyl)alkyl]glucosinolic acid (
CHEBI:137260
)
IUPAC Name
1-
S
-
[7-
(methanesulfinyl)-
N
-
(sulfooxy)heptanimidoyl]-
1-
thio-
β-
D
-
glucopyranose
Synonyms
Sources
glucoalissin
MetaCyc
Glucohesperalin
HMDB
methylsulfinylhexyl-glucosinolate
ChEBI
methylsulfinylhexylglucosinolate
ChEBI
Manual Xrefs
Databases
C00007348
KNApSAcK
CPDQT-288
MetaCyc
HMDB0038410
HMDB
View more database links
Registry Numbers
Types
Sources
33049-17-1
CAS Registry Number
KNApSAcK
8948953
Reaxys Registry Number
Reaxys
Citations
Types
Sources
19334740
PubMed citation
Europe PMC
IND44562811
Agricola citation
Europe PMC
Last Modified
20 April 2018