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CHEBI:47798 - ξ-progoitrin(1−)

ChEBI IDCHEBI:47798
ChEBI Nameξ-progoitrin(1−)
Stars
ASCII Namexi-progoitrin(1-)
DefinitionA glucosinolate resulting from the removal of a proton from the oxime hydrogen sulfate moiety of ξ-progoitrin.
Last Modified1 November 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H18NO10S2
Net Charge-1
Average Mass388.396
Monoisotopic Mass388.03776
SMILESC=CC(O)CC(=NOS(=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)/p-1/t5?,6-,8-,9+,10-,11+/m1/s1
InChIKeyMYHSVHWQEVDFQT-RNFCHCRPSA-M
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)
ξ-progoitrin(1−) (CHEBI:47798) has functional parent gluconapin(1−) (CHEBI:5411)
ξ-progoitrin(1−) (CHEBI:47798) is a hydroxy-alkenylglucosinolate (CHEBI:62663)
ξ-progoitrin(1−) (CHEBI:47798) is conjugate base of ξ-progoitrin (CHEBI:79350)
Incoming Relation(s)
epi-progoitrin(1−) (CHEBI:47797) is a ξ-progoitrin(1−) (CHEBI:47798)
progoitrin(1−) (CHEBI:8454) is a ξ-progoitrin(1−) (CHEBI:47798)
ξ-progoitrin (CHEBI:79350) is conjugate acid of ξ-progoitrin(1−) (CHEBI:47798)
IUPAC Name 
1-S-[3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
Synonym  Source
2-hydroxy-3-butenyl glucosinolateChEBI