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CHEBI:49016 - 3-(methylthio)propionate

ChEBI IDCHEBI:49016
ChEBI Name3-(methylthio)propionate
Stars
DefinitionA thia fatty acid anion that is the conjugate base of 3-(methylthio)propionic acid.
Last Modified16 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H7O2S
Net Charge-1
Average Mass119.165
Monoisotopic Mass119.01722
SMILESCSCCC(=O)[O-]
InChIInChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
InChIKeyCAOMCZAIALVUPA-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-(methylthio)propionate (CHEBI:49016) has functional parent propionate (CHEBI:17272)
3-(methylthio)propionate (CHEBI:49016) has role human metabolite (CHEBI:77746)
3-(methylthio)propionate (CHEBI:49016) is a thia fatty acid anion (CHEBI:59848)
3-(methylthio)propionate (CHEBI:49016) is conjugate base of 3-(methylthio)propionic acid (CHEBI:1438)
Incoming Relation(s)
3-(methylthio)propionic acid (CHEBI:1438) is conjugate acid of 3-(methylthio)propionate (CHEBI:49016)
IUPAC Name 
3-(methylsulfanyl)propanoate
Synonym  Source
3-methylthiopropanoateChEBI
UniProt Name  Source
3-(methylsulfanyl)propanoateUniProt
Manual XrefsDatabases
HMDB0001527HMDB
Registry NumbersSources
Beilstein:7125938Beilstein
Citations