DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:17 UTC
Update Date	2025-03-25 01:01:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250047
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₃O₅+
Molecular Mass	290.171
SMILES	C[N+](C)(C)CCOC(=O)CCNC(=O)C(N)CC(=O)O
InChI Key	DGCQQKWYNLYVCU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acyl cholines alpha amino acid amides alpha amino acids amines aspartic acid and derivatives beta amino acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines 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 fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound carboxylic acid ester aspartic acid or derivatives acyl choline dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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