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CHEBI:79331 - glucoputranjivin

ChEBI IDCHEBI:79331
ChEBI Nameglucoputranjivin
Stars
DefinitionAn alkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a 2-methyl-N-(sulfooxy)propanimidoyl group at the anomeric sulfur.
Last Modified11 March 2016
Submitternamrata
DownloadsMolfile
FormulaC10H19NO9S2
Net Charge0
Average Mass361.394
Monoisotopic Mass361.05012
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)/b11-9-/t5-,6-,7+,8-,10+/m1/s1
InChIKeyWGIQZGDVCQDPTG-WUBUQRIPSA-N
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 (CHEBI:79331) is a alkylglucosinolic acid (CHEBI:79327)
glucoputranjivin (CHEBI:79331) is conjugate acid of glucoputranjivin(1−) (CHEBI:5414)
Incoming Relation(s)
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 glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C08418KEGG COMPOUND
C00001479KNApSAcK
Registry NumbersSources
Reaxys:45580Reaxys
CAS:18432-16-1KEGG COMPOUND
Citations