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- ChemComp-MYS: PENTADECANE -

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Basic information

EntryDatabase: PDB chemical components / ID: MYS
NameName: pentadecane

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Chemical information

Composition
Formula: C15H32 / Number of atoms: 47 / Formula weight: 212.415 / Formal charge: 0
Others

1evz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MYS / Model coordinates PDB-ID: 1EVZ
History
Create componentJun 22, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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(CCCCCC)CCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3

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InChIKey

InChI 1.03YCOZIPAWZNQLMR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04pentadecane
OpenEye OEToolkits 1.5.0pentadecane

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