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CHEBI:190717 - (2R)-2-Hydroxybut-3-enylglucosinolate

ChEBI IDCHEBI:190717
ChEBI Name(2R)-2-Hydroxybut-3-enylglucosinolate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H19NO10S2
Net Charge0
Average Mass389.404
Monoisotopic Mass389.04504
SMILESC=C[C@@H](O)C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7-/t5-,6-,8-,9+,10-,11+/m1/s1
InChIKeyMYHSVHWQEVDFQT-KBHNZSCUSA-N
Species of MetaboliteComponentSourceComments
Oreochromis niloticus (ncbitaxon:8128) serum (BTO:0001239) MetaboLights (MTBLS4262)
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-Hydroxybut-3-enylglucosinolate (CHEBI:190717) is a alkylglucosinolate (CHEBI:36445)
IUPAC Name 
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z,3S)-3-hydroxy-N-sulooxypent-4-enimidothioate
Manual XrefsDatabases
24608073ChemSpider