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- ChemComp-JEG: trans-1-aminocyclobutane-1,3-dicarboxylic acid -

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Open data


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Basic information

EntryDatabase: PDB chemical components / ID: JEG
NameName: trans-1-aminocyclobutane-1,3-dicarboxylic acid

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Chemical information

Composition
Formula: C6H9NO4 / Number of atoms: 20 / Formula weight: 159.14 / Formal charge: 0
Others

4tlm

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JEG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4TLM
History
Create componentJun 12, 2014
Initial releaseJul 2, 2014
Modify descriptorSep 5, 2014
External linksUniChem / ChemSpider / ChEMBL / 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 12.01O=C(O)C1CC(C(=O)O)(N)C1
CACTVS 3.385N[C]1(C[CH](C1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C1C(CC1(C(=O)O)N)C(=O)O

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SMILES CANONICAL

CACTVS 3.385N[C@@]1(C[C@H](C1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C1C(CC1(C(=O)O)N)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6-

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InChIKey

InChI 1.03GGMYWPBNZXRMME-HSRNZHMGSA-N

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SYSTEMATIC NAME

ACDLabs 12.01trans-1-aminocyclobutane-1,3-dicarboxylic acid
OpenEye OEToolkits 1.9.21-azanylcyclobutane-1,3-dicarboxylic acid

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PDB entries

Showing all 2 items

PDB-4tll:
Crystal structure of GluN1/GluN2B NMDA receptor, structure 1

PDB-4tlm:
Crystal structure of GluN1/GluN2B NMDA receptor, structure 2

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