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CHEBI:136926 - 2-hydroxy-3-butenyldesulfoglucosinolate

ChEBI IDCHEBI:136926
ChEBI Name2-hydroxy-3-butenyldesulfoglucosinolate
Stars
DefinitionA desulfoglucosinolic acid resulting from the formal condensation of the thiol group of (3S)-N,3-dihydroxypent-4-enethioamide with β-D-glucopyranose.
Last Modified17 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC11H19NO7S
Net Charge0
Average Mass309.340
Monoisotopic Mass309.08822
SMILESC=C[C@@H](O)CC(=NO)SC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H19NO7S/c1-2-5(14)3-7(12-18)20-11-10(17)9(16)8(15)6(4-13)19-11/h2,5-6,8-11,13-18H,1,3-4H2/t5-,6-,8-,9+,10-,11?/m1/s1
InChIKeyCXWZHRJFLOOOAJ-BDOUVAIHSA-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)
2-hydroxy-3-butenyldesulfoglucosinolate (CHEBI:136926) has role Arabidopsis thaliana metabolite (CHEBI:140602)
2-hydroxy-3-butenyldesulfoglucosinolate (CHEBI:136926) is a desulfoglucosinolic acid (CHEBI:136442)
2-hydroxy-3-butenyldesulfoglucosinolate (CHEBI:136926) is a secondary allylic alcohol (CHEBI:134396)
IUPAC Name 
1-S-[(3S)-N,3-dihydroxypent-4-enimidoyl]-1-thio-D-glucopyranose