DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:35 UTC
Update Date	2025-03-25 00:48:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170641
Frequency	0.5
Structure
Chemical Formula	C₃₀H₅₉N₂O₅+
Molecular Mass	527.4418
SMILES	CCCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)OCC[N+](C)(C)C)C(=O)O
InChI Key	VFIHEQNGLJRSQV-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	glutamic acid and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl cholines alpha amino acids amines carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt glutamic acid or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide fatty acid ester organic oxygen compound carboxylic acid ester acyl choline dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

Showing information for DMID02170641