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N-Acetyl-L-phenylalanine

AlkaPlorer ID: AK022457

Synonym: '', 'SMR000066397', 'N-Acetyl-D-Phenyl alanine', 'MLSMR', 'Afalanine', 'MLS000060711', 'N-Acetylphenylalanine'

IUPAC Name: (2R)-2-acetamido-3-phenylpropanoic acid

Structure

SMILES: CC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O

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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)/t10-/m1/s1

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InChIKey: CBQJSKKFNMDLON-SNVBAGLBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Daphnia pulex Daphnia Daphniidae Diplostraca Branchiopoda Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 207.229

TPSA？: 66.4

MolLogP？: 0.8183999999999998

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Micrococcus luteus Micrococcus luteus Ki 100000.0 nM 10.1021/jm00121a018

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT003095 CC(=O)N[C@H](Cc1ccccc1)C(=O)O>>CC(=O)N[C@@H](Cc1ccccc1)C(=O)O 62772
AKRT003096 CC(=O)N[C@H](Cc1ccccc1)C(=O)O>>CC(=O)O enzymemap_77878
AKRT003097 CC(=O)N[C@H](Cc1ccccc1)C(=O)O>>CC(=O)O.N[C@H](Cc1ccccc1)C(=O)O None
AKRT003098 CC(=O)N[C@H](Cc1ccccc1)C(=O)O>>N[C@H](Cc1ccccc1)C(=O)O enzymemap_77878
AKRT004091 CC(=O)O.N[C@H](Cc1ccccc1)C(=O)O>>CC(=O)N[C@H](Cc1ccccc1)C(=O)O None
AKRT004715 CC(=O)[CoA].N[C@H](Cc1ccccc1)C(=O)O>>CC(=O)N[C@H](Cc1ccccc1)C(=O)O R03903
AKRT010967 CO.CC(=O)N[C@H](Cc1ccccc1)C(=O)O>>COC(=O)[C@@H](Cc1ccccc1)NC(C)=O enzymemap_52987
AKRT011053 COC(=O)[C@@H](Cc1ccccc1)NC(C)=O>>CC(=O)N[C@H](Cc1ccccc1)C(=O)O enzymemap_51349