CHEBI:58021 - glucotropeolin(1−)

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ChEBI Name glucotropeolin(1−)
ChEBI ID CHEBI:58021
ChEBI ASCII Name glucotropeolin(1-)
Definition An aralkylglucosinolate that is the conjugate base of glucotropeolin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H18NO9S2
Net Charge -1
Average Mass 408.427
Monoisotopic Mass 408.04285
InChI InChI=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
InChIKey QQGLQYQXUKHWPX-RFEZBLSLSA-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)/CC=2C=CC=CC2
Metabolite of Species Details
Carica papaya (NCBI:txid3649) 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 glucotropeolin(1−) (CHEBI:58021) is a aralkylglucosinolate (CHEBI:36452)
glucotropeolin(1−) (CHEBI:58021) is conjugate base of glucotropeolin (CHEBI:17127)
Incoming 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
Synonyms Sources
glucotropeolin UniProt
glucotropeolin anion ChEBI
Registry Numbers Types Sources
1671233 Beilstein Registry Number Beilstein
1671233 Reaxys Registry Number Reaxys
Last Modified
11 March 2016