CHEBI:49016 - 3-(methylthio)propionate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(methylthio)propionate
ChEBI ID CHEBI:49016
Definition A thia fatty acid anion that is the conjugate base of 3-(methylthio)propionic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C4H7O2S
Net Charge -1
Average Mass 119.16318
Monoisotopic Mass 119.01722
InChI InChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
InChIKey CAOMCZAIALVUPA-UHFFFAOYSA-M
SMILES CSCCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 3-(methylthio)propionic acid (CHEBI:1438) is conjugate acid of 3-(methylthio)propionate (CHEBI:49016)
IUPAC Name
3-(methylsulfanyl)propanoate
Synonyms Sources
3-(methylsulfanyl)propanoate UniProt
3-methylthiopropanoate ChEBI
Manual Xref Database
HMDB0001527 HMDB
View more database links
Registry Number Type Source
7125938 Beilstein Registry Number Beilstein
Citations Waiting for Citations
Last Modified
16 May 2017