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CHEBI:80999 - Glucoarabin

ChEBI IDCHEBI:80999
ChEBI NameGlucoarabin
Stars
Last Modified17 March 2016
DownloadsMolfile
FormulaC17H33NO10S3
Net Charge0
Average Mass507.649
Monoisotopic Mass507.12666
SMILESCS(=O)CCCCCCCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C17H33NO10S3/c1-30(23)10-8-6-4-2-3-5-7-9-13(18-28-31(24,25)26)29-17-16(22)15(21)14(20)12(11-19)27-17/h12,14-17,19-22H,2-11H2,1H3,(H,24,25,26)/b18-13-/t12-,14-,15+,16-,17+,30?/m1/s1
InChIKeyUZAVCHRZWLGWMH-FMDIWTLESA-N
Roles Classification
Biological Role:
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)
Glucoarabin (CHEBI:80999) is a glucosinolic acid (CHEBI:79316)
Glucoarabin (CHEBI:80999) is a sulfoxide (CHEBI:22063)
Synonym  Source
9-Methylsulfinylnonyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C17272KEGG COMPOUND