PDB Chemical Component GVT

Ideal Model

Chemical Description

Name 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol
Formula C28 H58 O10
Formal charge 0
Molecular weight 554.754 g/mol
Component type non-polymer

Chemical features

Atom count 96
Chiral atom count 0
Bond count 95
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 3,6,9,12,15,18,21,24,27-nonaoxaheptatriacontan-1-ol
Systematic name (OpenEye OEToolkits) 2-[2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Chemical Descriptors

Stereo SMILES (CACTVS) CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES (CACTVS) CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Stereo SMILES (OpenEye) CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI descriptor InChI=1/C28H58O10/c1-2-3-4-5-6-7-8-9-11-30-13-15-32-17-19-34-21-23-36-25-27-38-28-26-37-24-22-35-20-18-33-16-14-31-12-10-29/h29H,2-28H2,1H3
InChIKey descriptor MEPDRUVBZDYVEU-UHFFFAOYAX

Status Information

Last modified 2008-10-14
Created 2008-03-15
Release status REL
Model PDB code 2VQG
Processing site EBI