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CHEBI:79351 - epi-progoitrin

ChEBI IDCHEBI:79351
ChEBI Nameepi-progoitrin
Stars
ASCII Nameepi-progoitrin
DefinitionThe stereoisomer of ξ-progoitrin that has S at the carbon bearing the allylic hydroxy group.
Last Modified12 June 2019
Submitternamrata
DownloadsMolfile
FormulaC11H19NO10S2
Net Charge0
Average Mass389.404
Monoisotopic Mass389.04504
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)/t5-,6-,8-,9+,10-,11+/m1/s1
InChIKeyMYHSVHWQEVDFQT-AUYZFIFFSA-N
Species of MetaboliteComponentSourceComments
Isatis indigotica (ncbitaxon:161756) root (BTO:0001188) PubMed (29844266)
Crambe abyssinica (ncbitaxon:3721) seed (BTO:0001226) DOI ( 10.1111/j.1439-0523.2003.00893.x )
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 (CHEBI:79351) has role plant metabolite (CHEBI:76924)
epi-progoitrin (CHEBI:79351) is a ξ-progoitrin (CHEBI:79350)
epi-progoitrin (CHEBI:79351) is conjugate acid of epi-progoitrin(1−) (CHEBI:47797)
Incoming Relation(s)
epi-progoitrin(1−) (CHEBI:47797) is conjugate base of epi-progoitrin (CHEBI:79351)
IUPAC Name 
1-S-[(3S)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
(S)-2-hydroxy-but-3-enyl-glucosinolateMetaCyc
(2S)-2-hydroxy-3-butenyl glucosinolateChEBI
Registry NumbersSources
Reaxys:9951982Reaxys
CAS:19237-18-4ChemIDplus
Citations