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- ChemComp-QSC: (1R)-1-phenylethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: QSC
NameName: (1R)-1-phenylethanamine

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Chemical information

Composition
Formula: C8H11N / Number of atoms: 20 / Formula weight: 121.18 / Formal charge: 0
Others

3uqq
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: QSC / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3UQQ
History
Create componentDec 22, 2011
Initial releaseNov 16, 2012
Modify backboneNov 3, 2023
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / Metabolights / 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 12.01NC(c1ccccc1)C
CACTVS 3.370C[CH](N)c1ccccc1
OpenEye OEToolkits 1.7.6CC(c1ccccc1)N

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SMILES CANONICAL

CACTVS 3.370C[C@@H](N)c1ccccc1
OpenEye OEToolkits 1.7.6C[C@H](c1ccccc1)N

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InChI

InChI 1.03InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1

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InChIKey

InChI 1.03RQEUFEKYXDPUSK-SSDOTTSWSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1R)-1-phenylethanamine
OpenEye OEToolkits 1.7.6(1R)-1-phenylethanamine

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PDB entries

Showing all 2 items

PDB-3wgt:
Crystal structure of D-amino acid oxidase mutant

PDB-7cx6:
Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-(+)-1-Phenylethylamine

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