CHEBI:139481 - 5-chloro-L-tryptophan

ChEBI IDCHEBI:139481
ChEBI Name5-chloro-L-tryptophan
Stars
ASCII Name5-chloro-L-tryptophan
DefinitionA non-proteinogenic L-α-amino acid that is L-tryptophan in which the hydrogen at position 5 of the indole ring has been replaced by a chlorine.
Last Modified12 February 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H11ClN2O2
Net Charge0
Average Mass238.674
Monoisotopic Mass238.05091
SMILESN[C@@H](Cc1cnc2ccc(Cl)cc12)C(=O)O
InChIInChI=1S/C11H11ClN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKeyTUKKZLIDCNWKIN-VIFPVBQESA-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).
ChEBI Ontology
Outgoing Relation(s)
5-chloro-L-tryptophan (CHEBI:139481) is a L-tryptophan derivative (CHEBI:47994)
5-chloro-L-tryptophan (CHEBI:139481) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
5-chloro-L-tryptophan (CHEBI:139481) is a organochlorine compound (CHEBI:36683)
5-chloro-L-tryptophan (CHEBI:139481) is tautomer of 5-chloro-L-tryptophan zwitterion (CHEBI:139332)
Incoming Relation(s)
5-chloro-L-tryptophan zwitterion (CHEBI:139332) is tautomer of 5-chloro-L-tryptophan (CHEBI:139481)
IUPAC Name 
5-chloro-L-tryptophan
Synonyms  Source
(2S)-2-azanyl-3-(5-chloranyl-1H-indol-3-yl)propanoic acidPDBeChem
5'-chloro-L-tryptophanChEBI
Manual XrefsDatabases
5CWPDBeChem
CPD-12078MetaCyc
Registry NumbersSources
Reaxys:10552137Reaxys
Citations