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CHEBI:8454 - progoitrin(1−)

ChEBI IDCHEBI:8454
ChEBI Nameprogoitrin(1−)
Stars
ASCII Nameprogoitrin(1-)
DefinitionA ξ-progoitrin(1−) that is the conjugate base of progoitrin.
Last Modified12 June 2019
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-/m0/s1
InChIKeyMYHSVHWQEVDFQT-ILPXZUKPSA-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)
progoitrin(1−) (CHEBI:8454) is a ξ-progoitrin(1−) (CHEBI:47798)
progoitrin(1−) (CHEBI:8454) is conjugate base of progoitrin (CHEBI:79352)
Incoming Relation(s)
(Z)-progoitrin(1−) (CHEBI:183096) is a progoitrin(1−) (CHEBI:8454)
progoitrin (CHEBI:79352) is conjugate acid of progoitrin(1−) (CHEBI:8454)
IUPAC Name 
1-S-[(3R)-3-hydroxy-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
ProgoitrinKEGG COMPOUND
(R)-2-hydroxybut-3-enylglucosinolateChEBI
(R)-2-hydroxy-3-butenyl glucosinolateChemIDplus
Manual XrefsDatabases
C08425KEGG COMPOUND
Registry NumbersSources
Beilstein:3725711Beilstein
Reaxys:6640047Reaxys
CAS:585-95-5KEGG COMPOUND
CAS:585-95-5ChemIDplus