CHEBI:79326 - glucoiberverin

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ChEBI Name glucoiberverin
ChEBI ID CHEBI:79326
Definition An thia-alkylglucosinolic acid that is propylglucosinolic acid in which a hydrogen attached to the terminal carbon of the propyl group has been replaced by a methylsulfanediyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H21NO9S3
Net Charge 0
Average Mass 407.484
Monoisotopic Mass 407.03784
InChI InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7-/t6-,8-,9+,10-,11+/m1/s1
InChIKey ZCZCVJVUJGULMO-IIPHORNXSA-N
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CCCSC
Metabolite of Species Details
Eruca vesicaria subsp. sativa (NCBI:txid29727) 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 glucoiberverin (CHEBI:79326) has functional parent propylglucosinolic acid (CHEBI:79341)
glucoiberverin (CHEBI:79326) is a organic sulfide (CHEBI:16385)
glucoiberverin (CHEBI:79326) is a thia-alkylglucosinolic acid (CHEBI:79322)
glucoiberverin (CHEBI:79326) is conjugate acid of glucoiberverin(1−) (CHEBI:5407)
Incoming glucoiberverin(1−) (CHEBI:5407) is conjugate base of glucoiberverin (CHEBI:79326)
IUPAC Name
1-S-[(1Z)-4-(methylsulfanyl)-N-(sulfooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Synonym Source
3-Methylthiopropyl glucosinolate KEGG COMPOUND
Manual Xrefs Databases
C00001473 KNApSAcK
C08412 KEGG COMPOUND
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Registry Numbers Types Sources
1440252 Reaxys Registry Number Reaxys
26888-03-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19229477 PubMed citation Europe PMC
19489541 PubMed citation Europe PMC
24170324 PubMed citation Europe PMC
Last Modified
18 March 2016