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CHEBI:28044 - phenylalanine

ChEBI IDCHEBI:28044
ChEBI Namephenylalanine
Stars
DefinitionAn aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.
Secondary ChEBI IDsCHEBI:8089, CHEBI:25984
Last Modified19 December 2014
DownloadsMolfile
FormulaC9H11NO2
Net Charge0
Average Mass165.192
Monoisotopic Mass165.07898
SMILESNC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
InChIKeyCOLNVLDHVKWLRT-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Daphnia magna (ncbitaxon:35525) - Article (Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyondTine Vandenbrouck, Oliver A.H. Jones, Nathalie Dom, Julian L. Griffin, Wim De CoenEnvironment International 36 (2010) 254-268)
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).
Biological Role:
Daphnia magna metabolite  A Daphnia metabolite produced by the species Daphnia magna.
ChEBI Ontology
Outgoing Relation(s)
phenylalanine (CHEBI:28044) has part benzyl group (CHEBI:22744)
phenylalanine (CHEBI:28044) has role Daphnia magna metabolite (CHEBI:83056)
phenylalanine (CHEBI:28044) is a aromatic amino acid (CHEBI:33856)
phenylalanine (CHEBI:28044) is a α-amino acid (CHEBI:33704)
phenylalanine (CHEBI:28044) is conjugate acid of phenylalaninate (CHEBI:32504)
phenylalanine (CHEBI:28044) is conjugate base of phenylalaninium (CHEBI:32505)
Incoming Relation(s)
4-nitrophenylalanine (CHEBI:48496) has functional parent phenylalanine (CHEBI:28044)
methyl 4-amino-N-(tert-butoxycarbonyl)phenylalaninate (CHEBI:48493) has functional parent phenylalanine (CHEBI:28044)
phenylalanine derivative (CHEBI:25985) has functional parent phenylalanine (CHEBI:28044)
γ-glutamylphenylalanine (CHEBI:82966) has functional parent phenylalanine (CHEBI:28044)
D-phenylalanine (CHEBI:16998) is a phenylalanine (CHEBI:28044)
L-phenylalanine (CHEBI:17295) is a phenylalanine (CHEBI:28044)
phenylalaninium (CHEBI:32505) is conjugate acid of phenylalanine (CHEBI:28044)
phenylalaninate (CHEBI:32504) is conjugate base of phenylalanine (CHEBI:28044)
phenylalanine residue (CHEBI:32503) is substituent group from phenylalanine (CHEBI:28044)
phenylalanino group (CHEBI:25986) is substituent group from phenylalanine (CHEBI:28044)
phenylalanyl group (CHEBI:25987) is substituent group from phenylalanine (CHEBI:28044)
IUPAC Names 
phenylalanine
2-amino-3-phenylpropanoic acid
Synonyms  Source
PhenylalanineKEGG COMPOUND
alpha-Amino-beta-phenylpropionic acidKEGG COMPOUND
PhenylalaninChEBI
fenilalaninaChEBI
phénylalanineChEBI
DL-PhenylalanineKEGG COMPOUND
Manual XrefsDatabases
C02057KEGG COMPOUND
PhenylalanineWikipedia
Registry NumbersSources
Gmelin:50836Gmelin
Reaxys:1910407Reaxys
CAS:150-30-1ChemIDplus
CAS:150-30-1NIST Chemistry WebBook
Citations