rgoslin

rgoslin parses different shorthand notation dialects for lipid names and normalizes them to standard names, providing calculated monoisotopic masses, sum formulas, and structural annotations for lipidomics data analysis.

Key Features:

• Lipid Name Parsing: Parses different shorthand notation dialects for lipid names.
• Name Normalization: Normalizes parsed lipid names to a standard name.
• Mass and Formula Calculation: Provides calculated monoisotopic masses and sum formulas for each successfully parsed lipid name.
• LIPID MAPS Annotation: Supplements parsed lipids with LIPID MAPS Category and Class information.
• Structural Annotation: Returns the structural level and further structural details about the head group, fatty acyls and functional groups, where applicable.

Scientific Applications:

• Lipidomics Data Standardization: Normalizes diverse lipid shorthand notations to consistent nomenclature for cross-study comparisons.
• Lipid Identification and Annotation: Supports lipid identification by providing monoisotopic masses, sum formulas, and LIPID MAPS classification.
• Structural Lipid Analysis: Enables detailed structural characterization of lipids including head group, fatty acyl, and functional group information.

Methodology:

rgoslin implements the Grammar of Succinct Lipid Nomenclature in R to parse and normalize lipid shorthand notations.