CHEBI:79352 - progoitrin

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ChEBI Name progoitrin
ChEBI ID CHEBI:79352
Definition The stereoisomer of ξ-progoitrin that has R at the carbon bearing the allylic hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H19NO10S2
Net Charge 0
Average Mass 389.390
Monoisotopic Mass 389.04504
InChI InChI=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-/m0/s1
InChIKey MYHSVHWQEVDFQT-ILPXZUKPSA-N
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)SC(=NOS(O)(=O)=O)C[C@H](C=C)O
Metabolite of Species Details
Isatis indigotica (NCBI:txid161756) Found in root (BTO:0001188). See: PubMed
Brassica napus (NCBI:txid3708) Isolated from seeds, sprouts and roots. See: PubMed
Brassica oleracea (NCBI:txid3712) Found in leaf (BTO:0000713). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via glucosinolic acid )
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ChEBI Ontology
Outgoing progoitrin (CHEBI:79352) has role plant metabolite (CHEBI:76924)
progoitrin (CHEBI:79352) is a ξ-progoitrin (CHEBI:79350)
progoitrin (CHEBI:79352) is conjugate acid of progoitrin(1−) (CHEBI:8454)
Incoming progoitrin(1−) (CHEBI:8454) is conjugate base of progoitrin (CHEBI:79352)
IUPAC Name
1-S-[(3R)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
2(R)-2-hydroxy-3-butenyl glucosinolate KEGG COMPOUND
glucorapiferin KEGG COMPOUND
Manual Xrefs Databases
C00001486 KNApSAcK
C08425 KEGG COMPOUND
HMDB0034071 HMDB
Progoitrin Wikipedia
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Registry Numbers Types Sources
55913 Reaxys Registry Number Reaxys
585-95-5 CAS Registry Number KEGG COMPOUND
585-95-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22477389 PubMed citation Europe PMC
24492379 PubMed citation Europe PMC
29472789 PubMed citation Europe PMC
29472789 PubMed citation Europe PMC
29844266 PubMed citation Europe PMC
29876936 PubMed citation Europe PMC
Last Modified
12 June 2019