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CHEBI:189879 - (2R)-2-Hydroxy-2-phenylethyl glucosinolate

Default Structure
ChEBI IDCHEBI:189879
ChEBI Name(2R)-2-Hydroxy-2-phenylethyl glucosinolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO10S2
Net Charge0
Average Mass439.464
Monoisotopic Mass439.06069
SMILESO=S(=O)(O)O/N=C(\CC(O)c1ccccc1)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C15H21NO10S2/c17-7-10-12(19)13(20)14(21)15(25-10)27-11(16-26-28(22,23)24)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-21H,6-7H2,(H,22,23,24)/b16-11+
InChIKeyGAPDDBFHNYHZIS-LFIBNONCSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
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)
(2R)-2-Hydroxy-2-phenylethyl glucosinolate (CHEBI:189879) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-3-phenyl-N-sulooxypropanimidothioate
Manual XrefsDatabases
35014388ChemSpider
HMDB0037205HMDB