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CHEBI:177064 - 3-Hydroxypropyl-Glucosinolate

ChEBI IDCHEBI:177064
ChEBI Name3-Hydroxypropyl-Glucosinolate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H19NO10S2
Net Charge0
Average Mass377.393
Monoisotopic Mass377.04504
SMILESO=S(=O)(O)O/N=C(\CCCO)SC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H19NO10S2/c12-3-1-2-6(11-21-23(17,18)19)22-10-9(16)8(15)7(14)5(4-13)20-10/h5,7-10,12-16H,1-4H2,(H,17,18,19)/b11-6+
InChIKeyWIGYSAIZPJAWDF-IZZDOVSWSA-N
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)
3-Hydroxypropyl-Glucosinolate (CHEBI:177064) is a alkylglucosinolate (CHEBI:36445)
Incoming Relation(s)
(Z)-3-hydroxypropyl glucosinolate(1−) (CHEBI:183090) is a 3-Hydroxypropyl-Glucosinolate (CHEBI:177064)
IUPAC Name 
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-hydroxy-N-sulooxybutanimidothioate
Manual XrefsDatabases
32042557ChemSpider