PDB Chemical Component P15

Ideal Model

Chemical Description

Name 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
Formula C13 H28 O7
Formal charge 0
Molecular weight 296.357 g/mol
Component type NON-POLYMER

Chemical features

Atom count 48
Chiral atom count 0
Bond count 47
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 2,5,8,11,14,17-hexaoxanonadecan-19-ol
Systematic name (OpenEye OEToolkits) 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Chemical Descriptors

Stereo SMILES (CACTVS) COCCOCCOCCOCCOCCOCCO
SMILES (CACTVS) COCCOCCOCCOCCOCCOCCO
Stereo SMILES (OpenEye) COCCOCCOCCOCCOCCOCCO
InChI descriptor InChI=1/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3
InChIKey descriptor FHHGCKHKTAJLOM-UHFFFAOYAK

Status Information

Last modified 2008-10-14
Created 2006-06-26
Release status REL
Model PDB code 2H7J
Processing site RCSB