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

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CHEBI:204735 - N-methyl-4-dimethylallyltryptophan

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ChEBI ID	CHEBI:204735
ChEBI Name	N-methyl-4-dimethylallyltryptophan
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Submitter	MetaboLights
Downloads	Molfile

Formula	C17H22N2O2
Net Charge	0
Average Mass	286.375
Monoisotopic Mass	286.16813
SMILES	CN[C@@H](Cc1cnc2cccc(CC=C(C)C)c12)C(=O)O
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

Species of Metabolite	Component	Source	Comments
Claviceps purpurea (ncbitaxon:5111)	-	DOI (10.1016/s0040-4039(00)91168-7)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
23510998	ChemSpider