PDB Chemical Component DPV

Ideal Model

Chemical Description

Name dodecyl 2-(trimethylammonio)ethyl phosphate
Synonyms dodecylphosphocholine
Formula C17 H38 N O4 P
Formal charge 0
Molecular weight 351.462 g/mol
Component type NON-POLYMER

Chemical features

Atom count 61
Chiral atom count 0
Bond count 60
Aromatic bond count 0

Chemical Identifiers

Systematic name (OpenEye OEToolkits) dodecyl 2-(trimethylazaniumyl)ethyl phosphate

Chemical Descriptors

Stereo SMILES (CACTVS) CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
SMILES (CACTVS) CCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C
Stereo SMILES (OpenEye) CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C
InChI descriptor InChI=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
InChIKey descriptor QBHFVMDLPTZDOI-UHFFFAOYSA-N

Status Information

Last modified 2010-02-26
Created 2009-12-09
Release status REL
Model PDB code 3KYQ
Processing site PDBJ