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- ChemComp-TRD: TRIDECANE -

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Basic information

EntryDatabase: PDB chemical components / ID: TRD
NameName: tridecane / Synonyms: LIPID FRAGMENT

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Chemical information

Composition
Formula: C13H28 / Number of atoms: 41 / Formula weight: 184.361 / Formal charge: 0
Others

1cwq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TRD / Model coordinates PDB-ID: 1CWQ
History
Create componentSep 17, 1999
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / 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

ACDLabs 10.04C(CCCCCCCC)CCCC
CACTVS 3.341CCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

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InChIKey

InChI 1.03IIYFAKIEWZDVMP-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04tridecane
OpenEye OEToolkits 1.5.0tridecane

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