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- ChemComp-SEZ: 1,3,5-trimethylbenzene -

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Basic information

EntryDatabase: PDB chemical components / ID: SEZ
NameName: 1,3,5-trimethylbenzene / Synonyms: mesitylene

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Chemical information

Composition
Formula: C9H12 / Number of atoms: 21 / Formula weight: 120.192 / Formal charge: 0
Others

6zrd

Type: non-polymer / PDB classification: HETAIN / Three letter code: SEZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ZRD
History
Create componentNov 13, 2020
Modify synonymsNov 23, 2020
Initial releaseDec 2, 2020
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / HMDB / KEGG_Ligand / 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

CACTVS 3.385Cc1cc(C)cc(C)c1
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)C)C

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SMILES CANONICAL

CACTVS 3.385Cc1cc(C)cc(C)c1
OpenEye OEToolkits 2.0.7Cc1cc(cc(c1)C)C

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InChI

InChI 1.03InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3

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InChIKey

InChI 1.03AUHZEENZYGFFBQ-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-6zrd:
STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines

PDB-9pib:
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with fusion inhibitor CLIPS peptide CP121132 (CP-S1)

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