general and specific compounds
- Cazy, Carbohydrate-Active enZymes
The CAZy database describes the families of structurally-related catalytic and carbohydrate-binding modules (or functional domains) of enzymes that degrade, modify, or create glycosidic bonds.
Includes many different ways to search compounds
- ChemSpider (ChemZoo)
ChemSpider is a chemistry search engine built with the intention of aggregating and indexing chemical structures and their associated information into a single searchable repository and make it available to everybody, at no charge.
- Generated Database of Chemical Universe of Small Molecules
Contains every possible organic molecule of C, N, O, or F up to 11 atoms, taking into account chemical stability and synthetic feasibility; 26.4 million compounds.
- Glycan Database
Provides an independent way of accessing CFG data, as well as integrating a large amount of publicly-available information.
A resource for structural biologists who are dealing with hetero-compounds.
LipidBank is a database of natural lipids including fatty acids, glycerolipids, sphingolipids, steroids, and various vitamins.
- Metlin Metabolite Database
The METLIN Metabolite Database is a repository for mass spectral metabolite data.
- Metalloprotein Database and Browser
Contains quantitative information on all the metal-containing sites available from structures in the PDB distribution.
- Query Chem
Draw or look up a compound.
- Sustructure Search of SRC's Point File
The file contains 18,620 chemicals accessible by substructure.
ZINC is a free database of commercially-available compounds for virtual screening. ZINC contains over 4.6 million compounds in ready-to-dock, 3D formats.
Resources complied with special thanks to Indiana University's chemical informatics cyberinfrastructure collaboratory.