CHEBI:5407 - glucoiberverin(1−)

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ChEBI Name glucoiberverin(1−)
ChEBI ID CHEBI:5407
ChEBI ASCII Name glucoiberverin(1-)
Definition A thia-alkylglucosinolate resulting from the removal of the proton of the hydrogen sulfate group of glucoiberverin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H20NO9S3
Net Charge -1
Average Mass 406.477
Monoisotopic Mass 406.03057
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)/p-1/b12-7-/t6-,8-,9+,10-,11+/m1/s1
InChIKey ZCZCVJVUJGULMO-IIPHORNXSA-M
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 glucosinolate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glucoiberverin(1−) (CHEBI:5407) has functional parent propylglucosinolate (CHEBI:36446)
glucoiberverin(1−) (CHEBI:5407) is a ω-[(methylsulfanyl)alkyl]glucosinolate (CHEBI:136434)
glucoiberverin(1−) (CHEBI:5407) is conjugate base of glucoiberverin (CHEBI:79326)
Incoming glucoiberverin (CHEBI:79326) is conjugate acid of glucoiberverin(1−) (CHEBI:5407)
IUPAC Name
1-S-[(1Z)-4-(methylsulfanyl)-N-(sulfonatooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
3-methylthiopropylglucosinolate ChEBI
Glucoiberverin KEGG COMPOUND
Manual Xrefs Databases
3-METHYLTHIOPROPYL-GLUCOSINOLATE MetaCyc
C08412 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
26888-03-9 CAS Registry Number KEGG COMPOUND
7726720
Note: (2011-07-28) Z stereomer
 Reaxys Registry Number Reaxys
7726720
Note: (2006-09-01) Z stereomer
 Beilstein Registry Number Beilstein
Last Modified
01 June 2017