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CHEBI:58021 - glucotropeolin(1−)

ChEBI IDCHEBI:58021
ChEBI Nameglucotropeolin(1−)
Stars
ASCII Nameglucotropeolin(1-)
DefinitionAn aralkylglucosinolate that is the conjugate base of glucotropeolin; major species at pH 7.3.
Last Modified8 December 2021
DownloadsMolfile
FormulaC14H18NO9S2
Net Charge-1
Average Mass408.430
Monoisotopic Mass408.04285
SMILESO=S(=O)([O-])O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/p-1/b15-10-/t9-,11-,12+,13-,14+/m1/s1
InChIKeyQQGLQYQXUKHWPX-RFEZBLSLSA-M
Species of MetaboliteComponentSourceComments
Carica papaya (ncbitaxon:3649) - PubMed (22305790)
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)
glucotropeolin(1−) (CHEBI:58021) is a (Z)-glucosinolate(1−) (CHEBI:183098)
glucotropeolin(1−) (CHEBI:58021) is a aralkylglucosinolate (CHEBI:36452)
glucotropeolin(1−) (CHEBI:58021) is conjugate base of glucotropeolin (CHEBI:17127)
Incoming Relation(s)
(Z)-phenyl-N-(sulfonatooxy)methanimidothioate (CHEBI:183061) has functional parent glucotropeolin(1−) (CHEBI:58021)
glucotropeolin (CHEBI:17127) is conjugate acid of glucotropeolin(1−) (CHEBI:58021)
IUPAC Name 
1-S-[(1Z)-2-phenyl-N-(sulfonatooxy)ethanimidoyl]-1-thio-β-D-glucopyranose
Synonym  Source
glucotropeolin anionChEBI
UniProt Name  Source
(Z)-glucotropeolinUniProt
Registry NumbersSources
Reaxys:1671233Reaxys