CHEBI:136956 - glucohesperin

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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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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
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Registry Numbers Types Sources
33049-17-1 CAS Registry Number KNApSAcK
8948953 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19334740 PubMed citation Europe PMC
IND44562811 Agricola citation Europe PMC
Last Modified
20 April 2018