DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:16 UTC
Update Date	2025-03-25 00:46:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156411
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₃O₅+
Molecular Mass	304.1867
SMILES	C[N+](C)(C)CCOC(=O)CCNC(=O)C(N)CCC(=O)O
InChI Key	VOUBWMOACFSYGE-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 beta amino acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamic acid and derivatives 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 glutamic acid or derivatives carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound carboxylic acid ester acyl choline dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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