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- ChemComp-HFA: ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: HFA
NameName: alpha-hydroxy-beta-phenyl-propionic acid

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Chemical information

Composition
Formula: C9H10O3 / Number of atoms: 22 / Formula weight: 166.174 / Formal charge: 0
Others

1qrp

LLA

Type: L-PEPTIDE LINKING / PDB classification: ATOMP / One letter code: X / Three letter code: HFA / Model coordinates PDB-ID: 1QRP / Replaces: LLA
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)C(O)Cc1ccccc1
CACTVS 3.341O[CH](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)O

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SMILES CANONICAL

CACTVS 3.341O[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)O

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InChI

InChI 1.03InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1

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InChIKey

InChI 1.03VOXXWSYKYCBWHO-QMMMGPOBSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2-hydroxy-3-phenylpropanoic acid
OpenEye OEToolkits 1.5.0(2S)-2-hydroxy-3-phenyl-propanoic acid

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PDB entries

Showing all 5 items

PDB-1c1x:
L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND L-3-PHENYLLACTATE

PDB-2ctc:
THE HIGH RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN CARBOXYPEPTIDASE A AND L-PHENYL LACTATE

PDB-6a0g:
The crystal structure of Mandelate oxidase mutant Y128F with b-Phenyllactate

PDB-6zup:
Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-(-)-3-phenyllactic acid

PDB-7q87:
Carboxypeptidase T with (S)-3-phenyllactic acid

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