CHEBI:132553 - glucoibarin

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ChEBI Name glucoibarin
ChEBI ID CHEBI:132553
Definition An alkylglucosinolic acid that is 1-thio-β-D-glucose in which the anomeric sulfanyl hydrogen has been replaced by a 8-(methanesulfinyl)-N-(sulfooxy)octanimidoyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H29NO10S3
Net Charge 0
Average Mass 479.590
Monoisotopic Mass 479.09536
InChI InChI=1S/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24)/t10-,12-,13+,14-,15+,28?/m1/s1
InChIKey LQZALQLZOQQFGM-MMLSCURJSA-N
SMILES O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1SC(CCCCCCCS(C)=O)=NOS(O)(=O)=O)O)O)O)CO
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study
Armoracia rusticana (NCBI:txid3704) Found in root (BTO:0001188). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glucoibarin (CHEBI:132553) has role plant metabolite (CHEBI:76924)
glucoibarin (CHEBI:132553) is a glucosinolic acid (CHEBI:79316)
glucoibarin (CHEBI:132553) is a sulfoxide (CHEBI:22063)
IUPAC Name
1-S-[8-(methanesulfinyl)-N-(sulfooxy)octanimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
7-(Methylsulfinyl)heptyl glucosinolate KNApSAcK
7-(methylsulfinyl)heptyl glucosinolic acid ChEBI
Manual Xrefs Databases
24784931 ChemSpider
C00007352 KNApSAcK
CPDQT-295 MetaCyc
View more database links
Registry Numbers Types Sources
112572-51-7 CAS Registry Number KNApSAcK
8950935 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22779710 PubMed citation Europe PMC
Last Modified
18 January 2017