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 No supplier information found for this compound.
Download Molfile XML SDF
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