EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:156545 - glyceryl monothioglycolate

Default Structure
ChEBI IDCHEBI:156545
ChEBI Nameglyceryl monothioglycolate
Stars
DefinitionA thioglycolate ester resulting from esterification of thioglycolic acid with glycerol. As a component of developer solutions in permanent wave products, it is the second most frequent allergen in hairdressers and avoidance of acid permanent waves is mandatory.
Last Modified29 September 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H10O4S
Net Charge0
Average Mass166.198
Monoisotopic Mass166.02998
SMILESO=C(CS)OCC(O)CO
InChIInChI=1S/C5H10O4S/c6-1-4(7)2-9-5(8)3-10/h4,6-7,10H,1-3H2
InChIKeyDOGJSOZYUGJVKS-UHFFFAOYSA-N
Roles Classification
Biological Role:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
ChEBI Ontology
Outgoing Relation(s)
glyceryl monothioglycolate (CHEBI:156545) has role allergen (CHEBI:50904)
glyceryl monothioglycolate (CHEBI:156545) is a thioglycolate ester (CHEBI:48619)
IUPAC Name 
2,3-dihydroxypropyl sulfanylacetate
Synonyms  Source
Glycerol monomercaptoacetateChemIDplus
Glyceryl thioglycolateChemIDplus
Mercaptoacetic acid, monoester with 1,2,3-propanetriolChemIDplus
Registry NumbersSources
CAS:30618-84-9ChemIDplus
Citations