CHEBI:5414 - glucoputranjivin(1−)

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ChEBI Name glucoputranjivin(1−)
ChEBI ID CHEBI:5414
ChEBI ASCII Name glucoputranjivin(1-)
Definition A alkylglucosinolate that is the conjugate base of glucoputranjivin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H18NO9S2
Net Charge -1
Average Mass 360.384
Monoisotopic Mass 360.04285
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)/p-1/b11-9-/t5-,6-,7+,8-,10+/m1/s1
InChIKey WGIQZGDVCQDPTG-WUBUQRIPSA-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(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 glucosinolate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glucoputranjivin(1−) (CHEBI:5414) is a alkylglucosinolate (CHEBI:36445)
glucoputranjivin(1−) (CHEBI:5414) is conjugate base of glucoputranjivin (CHEBI:79331)
Incoming glucoputranjivin (CHEBI:79331) is conjugate acid of glucoputranjivin(1−) (CHEBI:5414)
IUPAC Name
1-S-[(1Z)-2-methyl-N-(sulfonatooxy)propanimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
2-methylethylglucosinolate ChEBI
Glucoputranjivin KEGG COMPOUND
isopropylglucosinolate ChEBI
propan-2-ylglucosinolate ChEBI
Manual Xref Database
C08418 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
18432-16-1 CAS Registry Number KEGG COMPOUND
3706093 Reaxys Registry Number Reaxys
Last Modified
11 March 2016