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CHEBI:165380 - 3,3'-Thiobispropanoic acid

ChEBI IDCHEBI:165380
ChEBI Name3,3'-Thiobispropanoic acid
Stars
Last Modified13 March 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H10O4S
Net Charge0
Average Mass178.209
Monoisotopic Mass178.02998
SMILESO=C(O)CCSCCC(=O)O
InChIInChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKeyODJQKYXPKWQWNK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,3'-Thiobispropanoic acid (CHEBI:165380) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
3-(2-carboxyethylsulanyl)propanoic acid
Synonym  Source
UF7990000ChEBI
Manual XrefsDatabases
7805ChemSpider
HMDB0031162HMDB
Registry NumbersSources
CAS:111-17-1ChemIDplus