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- ChemComp-AMH: TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: AMH
NameName: trans-4-aminomethylcyclohexane-1-carboxylic acid
Commentmedication*YM

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Chemical information

Composition
Formula: C8H15NO2 / Number of atoms: 26 / Formula weight: 157.21 / Formal charge: 0
Others

1ceb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AMH / Model coordinates PDB-ID: 1CEB
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / ChemicalBook / DailyMed / DrugBank / GtoPharmacology / HMDB / Nikkaji / 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 10.04O=C(O)C1CCC(CN)CC1
CACTVS 3.341NC[CH]1CC[CH](CC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CC(CCC1CN)C(=O)O

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SMILES CANONICAL

CACTVS 3.341NC[C@@H]1CC[C@H](CC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CC(CCC1CN)C(=O)O

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InChI

InChI 1.03InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-

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InChIKey

InChI 1.03GYDJEQRTZSCIOI-LJGSYFOKSA-N

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SYSTEMATIC NAME

ACDLabs 10.04trans-4-(aminomethyl)cyclohexanecarboxylic acid
OpenEye OEToolkits 1.5.04-(aminomethyl)cyclohexane-1-carboxylic acid

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PDB entries

Showing all 7 items

1b2i

1ceb

5rpg

5v3c

6nmb

6yzc

8sp7

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