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CHEBI:136951 - desulfoglucoiberin

ChEBI IDCHEBI:136951
ChEBI Namedesulfoglucoiberin
Stars
DefinitionA desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-(methylsulfinyl)butanethioamide with β-D-glucopyranose.
Last Modified20 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC11H21NO7S2
Net Charge0
Average Mass343.423
Monoisotopic Mass343.07594
SMILESCS(=O)CCCC(=NO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H21NO7S2/c1-21(18)4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)19-11/h6,8-11,13-17H,2-5H2,1H3/t6-,8-,9+,10-,11+,21?/m1/s1
InChIKeyLWGGAXGVBFJDJE-WSCIRIJQSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
- MetaboLights (MTBLS272)
- PubMed (27656890)
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
desulfoglucoiberin (CHEBI:136951) has role Arabidopsis thaliana metabolite (CHEBI:140602)
desulfoglucoiberin (CHEBI:136951) is a desulfoglucosinolic acid (CHEBI:136442)
IUPAC Name 
1-S-[N-hydroxy-4-(methanesulfinyl)butanimidoyl]-1-thio-β-D-glucopyranose
Synonyms  Source
3-(methylsulfinyl)propyldesulfoglucosinolateChEBI
3-methylsulfinylpropyldesulfoglucosinolateChEBI
3-methylsulfinylpropyl-desulfoglucosinolateChEBI
Registry NumbersSources
Reaxys:6428268Reaxys
Citations