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CHEBI:79350 - ξ-progoitrin

ChEBI IDCHEBI:79350
ChEBI Nameξ-progoitrin
Stars
ASCII Namexi-progoitrin
DefinitionA hydroxy-alkenylglucosinolic acid in which a 3-hydroxybut-1-en-4-yl group is attached to the carbon of the oxime sulfate moiety.
Last Modified12 June 2019
Submitternamrata
DownloadsMolfile
FormulaC11H19NO10S2
Net Charge0
Average Mass389.404
Monoisotopic Mass389.04504
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)/t5?,6-,8-,9+,10-,11+/m1/s1
InChIKeyMYHSVHWQEVDFQT-RNFCHCRPSA-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)
ξ-progoitrin (CHEBI:79350) has functional parent gluconapin (CHEBI:79319)
ξ-progoitrin (CHEBI:79350) is a hydroxy-alkenylglucosinolic acid (CHEBI:79348)
ξ-progoitrin (CHEBI:79350) is a secondary alcohol (CHEBI:35681)
ξ-progoitrin (CHEBI:79350) is conjugate acid of ξ-progoitrin(1−) (CHEBI:47798)
Incoming Relation(s)
epi-progoitrin (CHEBI:79351) is a ξ-progoitrin (CHEBI:79350)
progoitrin (CHEBI:79352) is a ξ-progoitrin (CHEBI:79350)
ξ-progoitrin(1−) (CHEBI:47798) is conjugate base of ξ-progoitrin (CHEBI:79350)
IUPAC Name 
1-S-[3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose