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CHEBI:5414 - glucoputranjivin(1−)

ChEBI IDCHEBI:5414
ChEBI Nameglucoputranjivin(1−)
Stars
ASCII Nameglucoputranjivin(1-)
DefinitionA alkylglucosinolate that is the conjugate base of glucoputranjivin.
Last Modified11 March 2016
DownloadsMolfile
FormulaC10H18NO9S2
Net Charge-1
Average Mass360.386
Monoisotopic Mass360.04285
SMILESCC(C)/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyWGIQZGDVCQDPTG-WUBUQRIPSA-M
Species of MetaboliteComponentSourceComments
Sisymbrium officinale (ncbitaxon:203582) - PubMed (23193942)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
glucoputranjivin(1−) (CHEBI:5414) is a alkylglucosinolate (CHEBI:36445)
glucoputranjivin(1−) (CHEBI:5414) is conjugate base of glucoputranjivin (CHEBI:79331)
Incoming Relation(s)
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  Source
GlucoputranjivinKEGG COMPOUND
isopropylglucosinolateChEBI
2-methylethylglucosinolateChEBI
propan-2-ylglucosinolateChEBI
Manual XrefsDatabases
C08418KEGG COMPOUND
Registry NumbersSources
Reaxys:3706093Reaxys
CAS:18432-16-1KEGG COMPOUND