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CHEBI:147413 - tryptophol-2-sulfonic acid

ChEBI IDCHEBI:147413
ChEBI Nametryptophol-2-sulfonic acid
Stars
DefinitionAn indolyl alcohol that is tryptophol which is substituted by a sulfo group at position 2.
Last Modified20 May 2020
Submittermwilliams
DownloadsMolfile
FormulaC10H11NO4S
Net Charge0
Average Mass241.268
Monoisotopic Mass241.04088
SMILESO=S(=O)(O)c1nc2ccccc2c1CCO
InChIInChI=1S/C10H11NO4S/c12-6-5-8-7-3-1-2-4-9(7)11-10(8)16(13,14)15/h1-4,11-12H,5-6H2,(H,13,14,15)
InChIKeyZYURVYKNOZACDY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) PubMed (29339827)
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)
tryptophol-2-sulfonic acid (CHEBI:147413) has functional parent tryptophol (CHEBI:17890)
tryptophol-2-sulfonic acid (CHEBI:147413) has role plant metabolite (CHEBI:76924)
tryptophol-2-sulfonic acid (CHEBI:147413) is a indolyl alcohol (CHEBI:38467)
tryptophol-2-sulfonic acid (CHEBI:147413) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
3-(2-hydroxyethyl)-1H-indole-2-sulfonic acid
Synonym  Source
TOL-SO3HChEBI
Citations