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- ChemComp-LY8: methyl (2~{R})-2-phenylpropanoate -

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Basic information

EntryDatabase: PDB chemical components / ID: LY8
NameName: methyl (2~{R})-2-phenylpropanoate

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Chemical information

Composition
Formula: C10H12O2 / Number of atoms: 24 / Formula weight: 164.201 / Formal charge: 0
Others

6sya

Type: non-polymer / PDB classification: HETAIN / Three letter code: LY8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SYA
History
Create componentSep 27, 2019
Initial releaseApr 7, 2021
External linksUniChem / ChemSpider / 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

CACTVS 3.385COC(=O)[CH](C)c1ccccc1
OpenEye OEToolkits 2.0.7CC(c1ccccc1)C(=O)OC

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SMILES CANONICAL

CACTVS 3.385COC(=O)[C@H](C)c1ccccc1
OpenEye OEToolkits 2.0.7C[C@H](c1ccccc1)C(=O)OC

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InChI

InChI 1.03InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1

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InChIKey

InChI 1.03DZIQUZJSNSZOCH-MRVPVSSYSA-N

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PDB entries

Showing all 1 items

PDB-6sya:
STRUCTURE OF S192A-ESTER-HYDROLASE EH3 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH METHYL (2R)-2-PHENYLPROPANOATE

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