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- ChemComp-LFA: EICOSANE -

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Basic information

EntryDatabase: PDB chemical components / ID: LFA
NameName: eicosane / Synonyms: LIPID FRAGMENT

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Chemical information

Composition
Formula: C20H42 / Number of atoms: 62 / Formula weight: 282.547 / Formal charge: 0
Others

1q90

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LFA / Model coordinates PDB-ID: 1Q90
History
Create componentNov 19, 2003
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEBI / ChemicalBook / CompTox / HMDB / 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(CCCCCCCCCCCCCCCCC)CC
CACTVS 3.341CCCCCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3

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InChIKey

InChI 1.03CBFCDTFDPHXCNY-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04icosane
OpenEye OEToolkits 1.5.0icosane

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PDB entries

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