DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:01 UTC
Update Date	2025-03-25 00:48:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167109
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₃O₅+
Molecular Mass	302.171
SMILES	CC(C(=O)NCC(=O)N1CC(O)CC1C(=O)O)[N+](C)(C)C
InChI Key	NUMLGUPRUSCURF-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids amines azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary alcohols secondary carboxylic acid amides tertiary carboxylic acid amides tetraalkylammonium salts
Substituents	carbonyl group carboxylic acid n-acylpyrrolidine alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol alanine or derivatives hydrocarbon derivative alpha-oligopeptide organic nitrogen compound amine organooxygen compound

Showing information for DMID02167109