N-(Indol-3-ylethyl)-2-hydroxy-3-methylpe (CHEBI:223816)

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CHEBI:223816 - N-(Indol-3-ylethyl)-2-hydroxy-3-methylpe

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ChEBI ID	CHEBI:223816
ChEBI Name	N-(Indol-3-ylethyl)-2-hydroxy-3-methylpe
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H22N2O2
Net Charge	0
Average Mass	274.364
Monoisotopic Mass	274.16813
SMILES	CC[C@H](C)[C@H](O)C(=O)NCCc1cnc2ccccc12
InChI	InChI=1S/C16H22N2O2/c1-3-11(2)15(19)16(20)17-9-8-12-10-18-14-7-5-4-6-13(12)14/h4-7,10-11,15,18-19H,3,8-9H2,1-2H3,(H,17,20)/t11-,15-/m0/s1
InChIKey	JOTAOFMUQJKRMS-NHYWBVRUSA-N

Species of Metabolite	Component	Source	Comments
Xenorhabdus (ncbitaxon:626)	-	DOI (10.1021/np960396l)

ChEBI Ontology

Outgoing Relation(s)
	N-(Indol-3-ylethyl)-2-hydroxy-3-methylpe (CHEBI:223816) is a indoles (CHEBI:24828)

IUPAC Name
(2S,3S)-2-hydroxy-N-[2-(1H-indol-3-yl)ethyl]-3-methylpentanamide

Manual Xrefs	Databases
57543954	ChemSpider