CHEBI:17127 - glucotropeolin

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ChEBI Name glucotropeolin
ChEBI ID CHEBI:17127
Definition An aralkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a 2-phenyl-N-(sulfooxy)ethanimidoyl group at the anomeric sulfur.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5425, CHEBI:14317, CHEBI:22749, CHEBI:24295
Supplier Information ZINC000013536219
Download Molfile XML SDF
Formula C14H19NO9S2
Net Charge 0
Average Mass 409.435
Monoisotopic Mass 409.05012
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)/b15-10-/t9-,11-,12+,13-,14+/m1/s1
InChIKey QQGLQYQXUKHWPX-RFEZBLSLSA-N
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 glucosinolic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glucotropeolin (CHEBI:17127) has functional parent (Z)-desulfoglucotropeolin (CHEBI:136422)
glucotropeolin (CHEBI:17127) has functional parent desulfoglucotropeolin (CHEBI:15911)
glucotropeolin (CHEBI:17127) is a aralkylglucosinolic acid (CHEBI:79342)
glucotropeolin (CHEBI:17127) is a benzenes (CHEBI:22712)
glucotropeolin (CHEBI:17127) is conjugate acid of glucotropeolin(1−) (CHEBI:58021)
Incoming glucolimnanthin(1−) (CHEBI:5409) has functional parent glucotropeolin (CHEBI:17127)
glucotropeolin(1−) (CHEBI:58021) is conjugate base of glucotropeolin (CHEBI:17127)
IUPAC Name
1-S-[(1Z)-2-phenyl-N-(sulfooxy)ethanimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
Benzyl glucosinolate ChEBI
Benzyl glucosinolate KEGG COMPOUND
benzylglucosinolate ChEBI
Glucotropaeolin KEGG COMPOUND
Glucotropeolin KEGG COMPOUND
Glucotropeolin KEGG COMPOUND
Manual Xrefs Databases
C00007346 KNApSAcK
C02153 KEGG COMPOUND
HMDB0038419 HMDB
View more database links
Registry Numbers Types Sources
499-26-3 CAS Registry Number KEGG COMPOUND
499-26-3 CAS Registry Number ChemIDplus
61369 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
07 March 2017