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- ChemComp-34H: (2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: 34H
NameName: (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

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Chemical information

Composition
Formula: C9H10O4 / Number of atoms: 23 / Formula weight: 182.173 / Formal charge: 0
Others

2xlq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 34H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XLQ
History
Create componentJul 21, 2010
Modify aromatic flagJun 4, 2011
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)Cc1ccc(O)cc1
CACTVS 3.352O[CH](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 1.6.1c1cc(ccc1CC(C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.352O[C@H](Cc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 1.6.1c1cc(ccc1C[C@H](C(=O)O)O)O

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InChI

InChI 1.03InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)/t8-/m1/s1

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InChIKey

InChI 1.03JVGVDSSUAVXRDY-MRVPVSSYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
OpenEye OEToolkits 1.6.1(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

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PDB entries

Showing all 3 items

PDB-2xlq:
Structural and Mechanistic Analysis of the Magnesium-Independent Aromatic Prenyltransferase CloQ from the Clorobiocin Biosynthetic Pathway

PDB-2xm7:
Structural and Mechanistic Analysis of the Magnesium-Independent Aromatic Prenyltransferase CloQ from the Clorobiocin Biosynthetic Pathway

PDB-4kig:
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with 4-hydroxyphenylpyruvic acid

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