EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:28580 - 3-mercaptolactic acid

ChEBI IDCHEBI:28580
ChEBI Name3-mercaptolactic acid
Stars
DefinitionA (2R)-2-hydroxy monocarboxylic acid consisting of lactic acid having a sulfanyl group at the 3-position.
Secondary ChEBI IDsCHEBI:1572, CHEBI:20102
Last Modified22 August 2019
DownloadsMolfile
FormulaC3H6O3S
Net Charge0
Average Mass122.145
Monoisotopic Mass122.00377
SMILESO=C(O)[C@@H](O)CS
InChIInChI=1S/C3H6O3S/c4-2(1-7)3(5)6/h2,4,7H,1H2,(H,5,6)/t2-/m0/s1
InChIKeyOLQOVQTWRIJPRE-REOHCLBHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
3-mercaptolactic acid (CHEBI:28580) has role mouse metabolite (CHEBI:75771)
3-mercaptolactic acid (CHEBI:28580) is a (2R)-2-hydroxy monocarboxylic acid (CHEBI:17893)
3-mercaptolactic acid (CHEBI:28580) is a thiol (CHEBI:29256)
3-mercaptolactic acid (CHEBI:28580) is conjugate acid of 3-mercaptolactate (CHEBI:140722)
Incoming Relation(s)
3-mercaptolactate (CHEBI:140722) is conjugate base of 3-mercaptolactic acid (CHEBI:28580)
IUPAC Name 
(2R)-2-hydroxy-3-sulfanylpropanoic acid
Synonyms  Source
3-mercaptolactic acidKEGG COMPOUND
(2R)-2-hydroxy-3-mercaptopropionic acidChEBI
(R)-3-mercaptolactic acidKEGG COMPOUND
L-3-mercaptolactic acidChEBI
(R)-2-hydroxy-3-mercaptopropanoic acidChEBI
(R)-2-hydroxy-3-sulfanylpropanoic acidChEBI
Manual XrefsDatabases
C05823KEGG COMPOUND
FDB022856FooDB
HMDB0002127HMDB
Registry NumbersSources
Reaxys:5727206Reaxys
Citations