PyLipidParse

Convert standard lipid shorthand notation (LIPID MAPS, SwissLipids, HMDB) to molecular structures.

What it does

No existing open-source tool converts lipid shorthand notation to SMILES, InChI, or RDKit molecules. PyLipidParse fills this gap by bridging pygoslin (lipid name parsing) and RDKit (cheminformatics) to generate actual molecular structures.

from pylipidparse import LipidConverter

conv = LipidConverter()

conv.to_smiles("PC 16:0/18:1(9Z)")
# -> canonical SMILES for POPC

conv.to_inchikey("FA 18:2(9Z,12Z)")
# -> 'OYHQOLUKZRVURQ-HZJYTTRNSA-N'

conv.to_mol("Cer 18:1;O2/16:0")
# -> <rdkit.Chem.rdchem.Mol object>

Quick links

• Installation -- pip or from source
• Usage guide -- examples and workflows
• Supported lipid classes -- full list with examples
• API Reference -- detailed method documentation