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CHEBI:216578 - (3R,6R)-N-methyl-N-(1-hydroxy-2-methylpropyl)-phenylalanine

ChEBI IDCHEBI:216578
ChEBI Name(3R,6R)-N-methyl-N-(1-hydroxy-2-methylpropyl)-phenylalanine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H21NO4
Net Charge0
Average Mass279.336
Monoisotopic Mass279.14706
SMILESCC(C)[C@@H](O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H21NO4/c1-10(2)13(17)14(18)16(3)12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13,17H,9H2,1-3H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyAFSFYXHJJVYLOJ-CHWSQXEVSA-N
Species of MetaboliteComponentSourceComments
Isaria japonica (ncbitaxon:72233) - PubMed (11988860)
ChEBI Ontology
Outgoing Relation(s)
(3R,6R)-N-methyl-N-(1-hydroxy-2-methylpropyl)-phenylalanine (CHEBI:216578) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
(2R)-2-[[(2R)-2-hydroxy-3-methylbutanoyl]-methylamino]-3-phenylpropanoic acid
Manual XrefsDatabases
9406344ChemSpider