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CHEBI:74640 - N-acetyl-L-tryptophan

Default Structure
ChEBI IDCHEBI:74640
ChEBI NameN-acetyl-L-tryptophan
Stars
ASCII NameN-acetyl-L-tryptophan
DefinitionA N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan.
Last Modified25 February 2016
Submittermwilliams
DownloadsMolfile
FormulaC13H14N2O3
Net Charge0
Average Mass246.266
Monoisotopic Mass246.10044
SMILESCC(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1
InChIKeyDZTHIGRZJZPRDV-LBPRGKRZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-L-tryptophan (CHEBI:74640) has role metabolite (CHEBI:25212)
N-acetyl-L-tryptophan (CHEBI:74640) is a N-acetyl-L-amino acid (CHEBI:21545)
N-acetyl-L-tryptophan (CHEBI:74640) is a L-tryptophan derivative (CHEBI:47994)
N-acetyl-L-tryptophan (CHEBI:74640) is conjugate acid of N-acetyl-L-tryptophanate (CHEBI:143877)
N-acetyl-L-tryptophan (CHEBI:74640) is enantiomer of N-acetyl-D-tryptophan (CHEBI:16734)
Incoming Relation(s)
N-acetyl-L-tryptophanate (CHEBI:143877) is conjugate base of N-acetyl-L-tryptophan (CHEBI:74640)
N-acetyl-D-tryptophan (CHEBI:16734) is enantiomer of N-acetyl-L-tryptophan (CHEBI:74640)
IUPAC Name 
N-acetyl-L-tryptophan
Manual XrefsDatabases
HMDB0013713HMDB
LSM-19010LINCS
Registry NumbersSources
Reaxys:89476Reaxys
CAS:1218-34-4ChemIDplus
Citations