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CHEBI:47797 - epi-progoitrin(1−)

ChEBI IDCHEBI:47797
ChEBI Nameepi-progoitrin(1−)
Stars
ASCII Nameepi-progoitrin(1-)
DefinitionA ξ-progoitrin(1−) that is the conjugate base of epi-progoitrin.
Last Modified12 June 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC11H18NO10S2
Net Charge-1
Average Mass388.396
Monoisotopic Mass388.03776
SMILESC=C[C@@H](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-AUYZFIFFSA-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)
epi-progoitrin(1−) (CHEBI:47797) is a ξ-progoitrin(1−) (CHEBI:47798)
epi-progoitrin(1−) (CHEBI:47797) is conjugate base of epi-progoitrin (CHEBI:79351)
Incoming Relation(s)
epi-progoitrin (CHEBI:79351) is conjugate acid of epi-progoitrin(1−) (CHEBI:47797)
IUPAC Name 
1-S-[(3S)-3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
(S)-2-hydroxy-3-butenyl glucosinolateChEBI
epiprogoitrinChemIDplus
Manual XrefsDatabases
CPD-19497MetaCyc
Registry NumbersSources
Beilstein:6133031Beilstein
CAS:19237-18-4ChemIDplus