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- ChemComp-CTL: CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL -

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Basic information

EntryDatabase: PDB chemical components / ID: CTL
NameName: cis-(1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
Synonyms: CIS-(1R,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE; CIS-(1R,2S)-2-AMINO-1-TETRALOL

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Chemical information

Composition
Formula: C10H13NO / Number of atoms: 25 / Formula weight: 163.216 / Formal charge: 0
Others

2an3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CTL / Model coordinates PDB-ID: 2AN3
History
Create componentAug 12, 2005
Modify descriptorJun 4, 2011
Modify synonymsMay 27, 2020
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 10.04OC2c1ccccc1CCC2N
CACTVS 3.341N[CH]1CCc2ccccc2[CH]1O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CCC(C2O)N

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SMILES CANONICAL

CACTVS 3.341N[C@H]1CCc2ccccc2[C@H]1O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CC[C@@H]([C@@H]2O)N

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InChI

InChI 1.03InChI=1S/C10H13NO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6,11H2/t9-,10+/m0/s1

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InChIKey

InChI 1.03IIMSEFZOOYSTDO-VHSXEESVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol
OpenEye OEToolkits 1.5.0(1R,2S)-2-amino-1,2,3,4-tetrahydronaphthalen-1-ol

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PDB entries

Showing all 1 items

PDB-2an3:
Structure of PNMT with S-adenosyl-L-homocysteine and the semi-rigid analogue acceptor substrate cis-(1R,2S)-2-amino-1-tetralol.

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