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CHEBI:132553 - glucoibarin

ChEBI IDCHEBI:132553
ChEBI Nameglucoibarin
Stars
DefinitionAn alkylglucosinolic acid that is 1-thio-β-D-glucose in which the anomeric sulfanyl hydrogen has been replaced by a 8-(methanesulfinyl)-N-(sulfooxy)octanimidoyl group.
Last Modified18 January 2017
SubmitterKeeva
DownloadsMolfile
FormulaC15H29NO10S3
Net Charge0
Average Mass479.595
Monoisotopic Mass479.09536
SMILESCS(=O)CCCCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyLQZALQLZOQQFGM-MMLSCURJSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (MTBLS338)
Armoracia rusticana (ncbitaxon:3704) root (BTO:0001188) PubMed (22779710)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
7-(methylsulfinyl)heptyl glucosinolic acidChEBI
7-(Methylsulfinyl)heptyl glucosinolateKNApSAcK
Manual XrefsDatabases
24784931ChemSpider
C00007352KNApSAcK
CPDQT-295MetaCyc
Registry NumbersSources
Reaxys:8950935Reaxys
CAS:112572-51-7KNApSAcK
Citations