LIPID MAPS® In-Silico Structure Database (LMISSD)
Hierarchy of lipid structures from analytical chemistry perspective
Description
The LIPID MAPS® In-Silico Structure Database (LMISSD) is a relational database generated by computational expansion of headgroups and chains for a large number of commonly occurring lipid classes. LMISSD has been designed from an analytical chemistry perspective and a hierarchy of sum composition, chain composition and exact structures may be browsed for the various lipid classes.
Technical Information
Web search:
Yes
Browse by class:
Yes
API Access:
Yes
Full DB download:
NA
Export formats:
NA
Tasks
1)
Lipid oriented databases
Number of lipid structures:
1132490
2021, Feb, 01
Structural ontology:
Based on LIPID MAPS® Lipid Classification System
Covered lipid sub classes:
3 out 8 lipid categories (GL, PL, SP)
Has computationally generated lipids:
Yes
Level of annotations:
Species level,
Structure defined level
Main identifier:
LMID
Structure representations:
SMILES,
InChI,
2D-image
Spectra library:
NA
Other fields:
NA
Calculated physicochemical properties:
Molar refractivity,
LogP,
Hydrogen bond acceptors,
Hydrogen bond donors,
Surface area,
Topological polar,
Molecular volume,
Van der Waals,
Rotatable bonds,
Aromatic rings,
Rings,
Heavy atoms
Searchable by properties:
Exact mass