EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72821 - 1-methyltryptophan

ChEBI IDCHEBI:72821
ChEBI Name1-methyltryptophan
Stars
DefinitionA tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole.
Last Modified8 January 2015
SubmitterSBeisken
DownloadsMolfile
FormulaC12H14N2O2
Net Charge0
Average Mass218.256
Monoisotopic Mass218.10553
SMILESCn1cc(CC(N)C(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)
InChIKeyZADWXFSZEAPBJS-UHFFFAOYSA-N
Wikipedia
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:
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor  An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the action of indoleamine 2,3-dioxygenase (EC 1.13.11.52).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
1-methyltryptophan (CHEBI:72821) has role antineoplastic agent (CHEBI:35610)
1-methyltryptophan (CHEBI:72821) has role EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor (CHEBI:72854)
1-methyltryptophan (CHEBI:72821) is a non-proteinogenic α-amino acid (CHEBI:83925)
1-methyltryptophan (CHEBI:72821) is a tryptophan derivative (CHEBI:27164)
IUPAC Name 
1-methyltryptophan
Synonyms  Source
1-methyl-DL-tryptophanChemIDplus
N-methyltryptophanChEBI
N-methyl-DL-tryptophanChEBI
Manual XrefsDatabases
1-MethyltryptophanWikipedia
Registry NumbersSources
Reaxys:20071Reaxys
CAS:26988-72-7ChemIDplus
Citations