EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44111 - 3-mercaptopropanoic acid

Default Structure
ChEBI IDCHEBI:44111
ChEBI Name3-mercaptopropanoic acid
Stars
DefinitionA mercaptopropanoic acid that is propanoic acid carrying a sulfanyl group at position 3.
Last Modified9 July 2015
DownloadsMolfile
FormulaC3H6O2S
Net Charge0
Average Mass106.146
Monoisotopic Mass106.00885
SMILESO=C(O)CCS
InChIInChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
InChIKeyDKIDEFUBRARXTE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Thalassiosira pseudonana CCMP1335 (ncbitaxon:296543) - MetaboLights (MTBLS154)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
ChEBI Ontology
Outgoing Relation(s)
3-mercaptopropanoic acid (CHEBI:44111) has role algal metabolite (CHEBI:84735)
3-mercaptopropanoic acid (CHEBI:44111) is a mercaptopropanoic acid (CHEBI:47871)
3-mercaptopropanoic acid (CHEBI:44111) is conjugate acid of 3-mercaptopropionate (CHEBI:86386)
Incoming Relation(s)
3-mercaptopropionate (CHEBI:86386) is conjugate base of 3-mercaptopropanoic acid (CHEBI:44111)
IUPAC Name 
3-sulfanylpropanoic acid
Synonyms  Source
2-mercaptoethanecarboxylic acidChemIDplus
3-mercaptopropanoic acidNIST Chemistry WebBook
3-mercaptopropionic acidChemIDplus
3MPAChemIDplus
3-thiohydracrylic acidNIST Chemistry WebBook
3-thiolpropanoic acidNIST Chemistry WebBook
Manual XrefsDatabases
CPD-7673MetaCyc
HMDB0041604HMDB
MPTPDBeChem
Registry NumbersSources
Gmelin:101294Gmelin
Reaxys:773807Reaxys
CAS:107-96-0NIST Chemistry WebBook
CAS:107-96-0ChemIDplus
Citations