EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43980 - N-methyl-L-phenylalanine

ChEBI IDCHEBI:43980
ChEBI NameN-methyl-L-phenylalanine
Stars
ASCII NameN-methyl-L-phenylalanine
DefinitionA phenylalanine derivative consisting of L-phenylalanine having a methyl substuent attached to the α-amino function.
Secondary ChEBI IDCHEBI:21758
Last Modified19 December 2014
DownloadsMolfile
FormulaC10H13NO2
Net Charge0
Average Mass179.219
Monoisotopic Mass179.09463
SMILESCN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeySCIFESDRCALIIM-VIFPVBQESA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-methyl-L-phenylalanine (CHEBI:43980) is a N-methyl-L-α-amino acid (CHEBI:21752)
N-methyl-L-phenylalanine (CHEBI:43980) is a L-phenylalanine derivative (CHEBI:84144)
N-methyl-L-phenylalanine (CHEBI:43980) is tautomer of N-methyl-L-phenylalanine zwitterion (CHEBI:61883)
Incoming Relation(s)
N-methyl-L-phenylalanine residue (CHEBI:61884) is substituent group from N-methyl-L-phenylalanine (CHEBI:43980)
N-methyl-L-phenylalanine zwitterion (CHEBI:61883) is tautomer of N-methyl-L-phenylalanine (CHEBI:43980)
IUPAC Name 
N-methyl-L-phenylalanine
Synonyms  Source
N-METHYLPHENYLALANINEPDBeChem
N-Me-L-Phe-OHChEBI
N-Me-PheChEBI
N-Me-Phe-OHChEBI
N-Me-L-PheChEBI
(S)-2-(N-methylamino)-3-phenylpropionic acidChEBI
Manual XrefsDatabases
MEAPDBeChem
Registry NumbersSources
Reaxys:2096928Reaxys
Citations