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Homophenylalanine

AlkaPlorer ID: AK097984

Synonym: None

IUPAC Name: (2S)-2-amino-4-phenylbutanoic acid

Structure

SMILES: N[C@@H](CCC1=CC=CC=C1)C(=O)O

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InChI: InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1

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InChIKey: JTTHKOPSMAVJFE-VIFPVBQESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 179.21899999999997

TPSA？: 63.32000000000001

MolLogP？: 1.0311

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Apoptotic protease-activating factor 1 EC50 100000.0 nM None
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000048 *C(=O)C(=O)O.N[C@@H](CCc1ccccc1)C(=O)O>>O=C(O)C(=O)CCc1ccccc1 R10503
AKRT001055 *[C@H](N)C(=O)O.O=C(O)C(=O)CCc1ccccc1>>N[C@@H](CCc1ccccc1)C(=O)O R10503
AKRT002669 CC(=O)N[C@@H](CCc1ccccc1)C(=O)O>>N[C@@H](CCc1ccccc1)C(=O)O enzymemap_76475
AKRT013595 C[C@H](N)C(=O)O.O=C(O)C(=O)CCc1ccccc1>>N[C@@H](CCc1ccccc1)C(=O)O RXN-14467
AKRT014901 Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)CCc3ccccc3)ccc12>>Cc1cc(=O)oc2cc(N)ccc12.N[C@@H](CCc1ccccc1)C(=O)O None
AKRT017029 NC(=O)NC(CCc1ccccc1)C(=O)O>>N[C@@H](CCc1ccccc1)C(=O)O enzymemap_77984
AKRT017030 NC(=O)NC(CCc1ccccc1)C(=O)O>>N[C@@H](CCc1ccccc1)C(=O)O.O=C=O None
AKRT017112 NC(=O)N[C@@H](CCc1ccccc1)C(=O)O>>N[C@@H](CCc1ccccc1)C(=O)O enzymemap_77970
AKRT017113 NC(=O)N[C@@H](CCc1ccccc1)C(=O)O>>N[C@@H](CCc1ccccc1)C(=O)O.O=C=O None
AKRT019422 N[C@@H](CCc1ccccc1)C(=O)O>>*[C@H](N)C(=O)O R10503
AKRT019423 N[C@@H](CCc1ccccc1)C(=O)O>>O/N=C/CCc1ccccc1 R08655
AKRT019424 N[C@@H](CCc1ccccc1)C(=O)O>>O=C(O)C(=O)CCc1ccccc1 enzymemap_21474
AKRT019425 N[C@@H](CCc1ccccc1)C(=O)O>>O=C=O R08655
AKRT022576 O=C(O)C(=O)CCc1ccccc1>>N[C@@H](CCc1ccccc1)C(=O)O enzymemap_21659