CHEBI:79351 - epi-progoitrin

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ChEBI Name epi-progoitrin
ChEBI ID CHEBI:79351
ChEBI ASCII Name epi-progoitrin
Definition The stereoisomer of ξ-progoitrin that has S at the carbon bearing the allylic hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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+/m1/s1
InChIKey MYHSVHWQEVDFQT-AUYZFIFFSA-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
Crambe abyssinica (NCBI:txid3721) Found in seed (BTO:0001226). See: DOI
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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(2S)-2-hydroxy-3-butenyl glucosinolate ChEBI
(S)-2-hydroxy-but-3-enyl-glucosinolate MetaCyc
Registry Numbers Types Sources
19237-18-4 CAS Registry Number ChemIDplus
9951982 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12696966 PubMed citation Europe PMC
16536577 PubMed citation Europe PMC
9034587 PubMed citation Europe PMC
IND20419779 Agricola citation Europe PMC
IND43625599 Agricola citation Europe PMC
Last Modified
12 June 2019