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CHEBI:5409 - glucolimnanthin(1−)

ChEBI IDCHEBI:5409
ChEBI Nameglucolimnanthin(1−)
Stars
ASCII Nameglucolimnanthin(1-)
DefinitionAn aralkylglucosinolate that is glucotropeolin in which the phenyl group is substituted at position 3 by a methoxy group.
Last Modified11 March 2016
DownloadsMolfile
FormulaC15H20NO10S2
Net Charge-1
Average Mass438.456
Monoisotopic Mass438.05341
SMILESCOc1cccc(C/C(=N/OS(=O)(=O)[O-])S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/p-1/b16-11-/t10-,12-,13+,14-,15+/m1/s1
InChIKeyRYDIUEJGEAUJAI-OOMJLXHVSA-M
Species of MetaboliteComponentSourceComments
Limnanthes alba (ncbitaxon:42439) - PubMed (19170637)
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)
glucolimnanthin(1−) (CHEBI:5409) has functional parent glucotropeolin (CHEBI:17127)
glucolimnanthin(1−) (CHEBI:5409) is a aralkylglucosinolate (CHEBI:36452)
glucolimnanthin(1−) (CHEBI:5409) is conjugate base of glucolimnanthin (CHEBI:79343)
Incoming Relation(s)
glucolimnanthin (CHEBI:79343) is conjugate acid of glucolimnanthin(1−) (CHEBI:5409)
IUPAC Name 
1-S-[(1Z)-2-(3-methoxyphenyl)-N-(sulfonatooxy)ethanimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
GlucolimnanthinKEGG COMPOUND
3-methoxybenzylglucosinolateChEBI
Manual XrefsDatabases
C08414KEGG COMPOUND
C00001475KNApSAcK
Registry NumbersSources
Reaxys:4044035Reaxys
CAS:111810-95-8KEGG COMPOUND