N-methyl-4-dimethylallyltryptophan (CHEBI:204735)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-methyl-4-dimethylallyltryptophan

ChEBI ID	CHEBI:204735

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H22N2O2

Net Charge

Average Mass

286.375

Monoisotopic Mass

286.16813

InChI

InChI=1S/C17H22N2O2/c1-11(2)7-8-12-5-4-6-14-16(12)13(10-19-14)9-15(18-3)17(20)21/h4-7,10,15,18-19H,8-9H2,1-3H3,(H,20,21)/t15-/m0/s1

InChIKey

QQMWUGXCTSAHLX-HNNXBMFYSA-N

SMILES

O=C(O)[C@@H](NC)CC=1C2=C(C=CC=C2NC1)CC=C(C)C

Metabolite of Species	Details
Claviceps purpurea (NCBI:txid5111)	See: DOI

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

ChEBI Ontology
Outgoing	N-methyl-4-dimethylallyltryptophan (CHEBI:204735) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name

2-(methylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoic acid