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- ChemComp-MEB: 2-methylprop-1-ene -

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Basic information

EntryDatabase: PDB chemical components / ID: MEB
NameName: 2-methylprop-1-ene

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Chemical information

Composition
Formula: C4H8 / Number of atoms: 12 / Formula weight: 56.106 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: MEB / Ideal coordinates details: Corina
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify nameSep 28, 2011
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 12.01C=C(\C)C
CACTVS 3.370CC(C)=C
OpenEye OEToolkits 1.7.2CC(=C)C

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SMILES CANONICAL

CACTVS 3.370CC(C)=C
OpenEye OEToolkits 1.7.2CC(=C)C

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InChI

InChI 1.03InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3

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InChIKey

InChI 1.03VQTUBCCKSQIDNK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-methylprop-1-ene
OpenEye OEToolkits 1.7.22-methylprop-1-ene

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PDB entries

Showing all 4 items

PDB-3txe:
HEWL co-crystallization with carboplatin in aqueous media with paratone as the cryoprotectant

PDB-4dd1:
EVAL processed HEWL, cisplatin aqueous paratone

PDB-4dd3:
EVAL processed HEWL, carboplatin aqueous paratone

PDB-4owb:
Cisplatin binding to HEWL under sodium bromide crystallisation conditions

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