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- ChemComp-DPV: dodecyl 2-(trimethylammonio)ethyl phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: DPV
NameName: dodecyl 2-(trimethylammonio)ethyl phosphate / Synonyms: dodecylphosphocholine

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Chemical information

Composition
Formula: C17H38NO4P / Number of atoms: 61 / Formula weight: 351.462 / Formal charge: 0
Others

3kyq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DPV / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KYQ
History
Create componentDec 9, 2009
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / PubChem / PubChem_TPharma / SureChEMBL / 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 3.352CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

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SMILES CANONICAL

CACTVS 3.352CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C

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InChI

InChI 1.03InChI=1S/C17H38NO4P/c1-5-6-7-8-9-10-11-12-13-14-16-21-23(19,20)22-17-15-18(2,3)4/h5-17H2,1-4H3

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InChIKey

InChI 1.03QBHFVMDLPTZDOI-UHFFFAOYSA-N

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PDB entries

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