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CHEBI:24813 - 3-(indol-3-yl)lactic acid

Default Structure
ChEBI IDCHEBI:24813
ChEBI Name3-(indol-3-yl)lactic acid
Stars
DefinitionA hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan.
Last Modified23 October 2015
DownloadsMolfile
FormulaC11H11NO3
Net Charge0
Average Mass205.213
Monoisotopic Mass205.07389
SMILESO=C(O)C(O)Cc1cnc2ccccc12
InChIInChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
InChIKeyXGILAAMKEQUXLS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (2361979)
blood serum (BTO:0000133) MetaboLights (MTBLS90)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-(indol-3-yl)lactic acid (CHEBI:24813) has functional parent rac-lactic acid (CHEBI:28358)
3-(indol-3-yl)lactic acid (CHEBI:24813) has role human metabolite (CHEBI:77746)
3-(indol-3-yl)lactic acid (CHEBI:24813) is a hydroxy monocarboxylic acid (CHEBI:35868)
3-(indol-3-yl)lactic acid (CHEBI:24813) is a indol-3-yl carboxylic acid (CHEBI:24810)
3-(indol-3-yl)lactic acid (CHEBI:24813) is conjugate acid of 3-(indol-3-yl)lactate (CHEBI:17282)
Incoming Relation(s)
3-(indol-3-yl)lactate (CHEBI:17282) is conjugate base of 3-(indol-3-yl)lactic acid (CHEBI:24813)
IUPAC Name 
2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Synonyms  Source
3-(Indol-3-yl)lactic acidChemIDplus
alpha-Hydroxy-1H-indole-3-propanoic acidChemIDplus
indole-3-lactic acidChEBI
Manual XrefsDatabases
C02043KEGG COMPOUND
HMDB0000671HMDB
INDOLE_LACTATEMetaCyc
Registry NumbersSources
Reaxys:86202Reaxys
CAS:1821-52-9ChemIDplus
CAS:1821-52-9KEGG COMPOUND
Citations