MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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N-acetyl-L-phenylalanine

	Properties	Image
MNX_ID	MNXM4052
reference	chebi:57702
formula	C₁₁H₁₂NO₃
global charge	-1
mol weight	206.221
InChIKey	CBQJSKKFNMDLON-JTQLQIEISA-M
InChI	InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1
SMILES	CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
SMILES (mnx)	[CH3:1][C:8](=[N:12][C@@H:10]([CH2:7][C:9]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:11](=[O:14])[OH:15])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57702 chebi:57702 CBQJSKKFNMDLON-JTQLQIEISA-M	N-acetyl-L-phenylalanine (2S)-2-acetamido-3-phenylpropanoate N-acetyl-L-phenylalaninate
sabiork.compound:6678 sabiorkM:6678 kegg.compound:C03519 keggC:C03519 CBQJSKKFNMDLON-JTQLQIEISA-N	N-Acetyl-L-phenylalanine
seed.compound:cpd02218 seedM:cpd02218 CBQJSKKFNMDLON-JTQLQIEISA-M	N-Acetyl-L-phenylalanine (2S)-2-acetamido-3-phenylpropanoate N-acetyl-L-phenylalanine
vmhM:naclphe vmhmetabolite:naclphe CBQJSKKFNMDLON-JTQLQIEISA-N	N-Acetyl-L-phenylalanine (2S)-2-acetamido-3-phenylpropanoic acid
hmdb:HMDB0000512 CBQJSKKFNMDLON-JTQLQIEISA-N	N-Acetyl-L-phenylalanine (2S)-2-acetamido-3-phenylpropanoic acid Acetyl-L-phenylalanine Acetylphenylalanine L-N-Acetylphenylalanine N-Acetyl-3-phenyl-L-alanine N-Acetyl-L-phenalanine N-Acetylphenylalanine N-Acetylphenylalanine, (D)-isomer N-Acetylphenylalanine, (D,L)-isomer, 3H-labeled N-Acetylphenylalanine, (L)-isomer N-Acetylphenylalanine, (L)-isomer, 3H-labeled acetyl-L-phenylalanine
CHEBI:16259 chebi:16259 CBQJSKKFNMDLON-JTQLQIEISA-N	N-acetyl-L-phenylalanine (2S)-2-(acetylamino)-3-phenylpropanoic acid Acetyl-L-phenylalanine Acetylphenylalanine L-N-Acetylphenylalanine N-Acetyl-L-phenylalanine N-Acetylphenylalanine
metacyc.compound:CPD-439 metacycM:CPD-439 CBQJSKKFNMDLON-JTQLQIEISA-M	N-acetyl-L-phenylalanine (2S)-2-acetamido-3-phenylpropanoate
hmdb:HMDB00512 chebi:12464 chebi:21558 chebi:7155 keggC:M_C03519 seedM:M_cpd02218 vmhM:M_naclphe	secondary/obsolete/fantasy identifier