CHEBI:79331 - glucoputranjivin

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ChEBI Name glucoputranjivin
ChEBI ID CHEBI:79331
Definition An alkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a 2-methyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfur.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H19NO9S2
Net Charge 0
Average Mass 361.392
Monoisotopic Mass 361.05012
InChI InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/b11-9-/t5-,6-,7+,8-,10+/m1/s1
InChIKey WGIQZGDVCQDPTG-WUBUQRIPSA-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(C)C
Metabolite of Species Details
Sisymbrium officinale (NCBI:txid203582) 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 )
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ChEBI Ontology
Outgoing glucoputranjivin (CHEBI:79331) is a alkylglucosinolic acid (CHEBI:79327)
glucoputranjivin (CHEBI:79331) is conjugate acid of glucoputranjivin(1−) (CHEBI:5414)
Incoming glucoputranjivin(1−) (CHEBI:5414) is conjugate base of glucoputranjivin (CHEBI:79331)
IUPAC Name
1-S-[(1Z)-2-methyl-N-(sulfooxy)propanimidoyl]-1-thio-β-D-glucopyranose
Synonym Source
1-Methylethyl glucosinolate KEGG COMPOUND
Manual Xrefs Databases
C00001479 KNApSAcK
C08418 KEGG COMPOUND
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Registry Numbers Types Sources
18432-16-1 CAS Registry Number KEGG COMPOUND
45580 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
23193942 PubMed citation Europe PMC
Last Modified
11 March 2016