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CHEBI:27631 - 5-hydroxyindoleacetylglycine

ChEBI IDCHEBI:27631
ChEBI Name5-hydroxyindoleacetylglycine
Stars
DefinitionAn N-acylglycine resulting from the formal condensation of the carboxy group of (5-hydroxyindol-3-yl)acetic acid with the amino group of glycine.
Secondary ChEBI IDsCHEBI:2072, CHEBI:20586
Last Modified2 March 2021
DownloadsMolfile
FormulaC12H12N2O4
Net Charge0
Average Mass248.238
Monoisotopic Mass248.07971
SMILESO=C(O)CNC(=O)Cc1cnc2ccc(O)cc12
InChIInChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)
InChIKeyLFUCRBSGQMAKCO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) urine (BTO:0001419) PubMed (28620200)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
5-hydroxyindoleacetylglycine (CHEBI:27631) has functional parent (5-hydroxyindol-3-yl)acetic acid (CHEBI:27823)
5-hydroxyindoleacetylglycine (CHEBI:27631) has role rat metabolite (CHEBI:86264)
5-hydroxyindoleacetylglycine (CHEBI:27631) is a N-acylglycine (CHEBI:16180)
5-hydroxyindoleacetylglycine (CHEBI:27631) is a hydroxyindoles (CHEBI:84729)
IUPAC Name 
N-[(5-hydroxy-1H-indol-3-yl)acetyl]glycine
Synonyms  Source
5-hydroxyindoleacetylglycineKEGG COMPOUND
5-hydroxyindoleacetyl glycineChEBI
2-[2-(5-hydroxy-1H-indol-3-yl)acetamido]acetic acidIUPAC
N-[(5-hydroxyindol-3-yl)acetyl]-glycineChEBI
Manual XrefsDatabases
C05832KEGG COMPOUND
389669ChemSpider
HMDB0004185HMDB
FDB023328FooDB
Registry NumbersSources
CAS:16606-62-5ChEBI
Citations