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CHEBI:70772 - 4-hydroxytryptophan

ChEBI IDCHEBI:70772
ChEBI Name4-hydroxytryptophan
Stars
DefinitionA hydroxytryptophan substituted by a hydroxy group at position 4 on the indole ring.
Last Modified26 February 2016
Submittermwilliams
DownloadsMolfile
FormulaC11H12N2O3
Net Charge0
Average Mass220.228
Monoisotopic Mass220.08479
SMILESNC(Cc1cnc2cccc(O)c12)C(=O)O
InChIInChI=1S/C11H12N2O3/c12-7(11(15)16)4-6-5-13-8-2-1-3-9(14)10(6)8/h1-3,5,7,13-14H,4,12H2,(H,15,16)
InChIKeyQSHLMQDRPXXYEE-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxytryptophan (CHEBI:70772) has role human urinary metabolite (CHEBI:84087)
4-hydroxytryptophan (CHEBI:70772) is a hydroxytryptophan (CHEBI:84194)
Incoming Relation(s)
4-hydroxy-L-tryptophan (CHEBI:40072) is a 4-hydroxytryptophan (CHEBI:70772)
IUPAC Names 
2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
4-hydroxytryptophan
Synonym  Source
4-hydroxy-DL-tryptophanChemIDplus
Manual XrefsDatabases
LSM-36828LINCS
Registry NumbersSources
Reaxys:482548Reaxys
CAS:16533-77-0ChemIDplus
Citations