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- ChemComp-HF2: (2R)-2-hydroxy-3-phenylpropanoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: HF2
NameName: (2R)-2-hydroxy-3-phenylpropanoic acid

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Chemical information

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

3ah8

Type: PEPTIDE-LIKE / PDB classification: HETAIN / Three letter code: HF2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3AH8
History
Create componentJul 12, 2010
Modify descriptorJun 4, 2011
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / Brenda / ChEBI / ChemicalBook / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01O=C(O)C(O)Cc1ccccc1
CACTVS 3.370O[CH](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(C(=O)O)O

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SMILES CANONICAL

CACTVS 3.370O[C@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(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-/m1/s1

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InChIKey

InChI 1.03VOXXWSYKYCBWHO-MRVPVSSYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-hydroxy-3-phenylpropanoic acid
OpenEye OEToolkits 1.7.0(2R)-2-hydroxy-3-phenyl-propanoic acid

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PDB entries

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