1-methyltryptophan (CHEBI:72821)

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ChEBI Name	1-methyltryptophan

ChEBI ID	CHEBI:72821

Definition	A tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	SBeisken

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Formula

C12H14N2O2

Net Charge

Average Mass

218.25180

Monoisotopic Mass

218.10553

InChI

InChI=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)

InChIKey

ZADWXFSZEAPBJS-UHFFFAOYSA-N

SMILES

Cn1cc(CC(N)C(O)=O)c2ccccc12

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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

Last Modified

08 January 2015