DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:42 UTC
Update Date	2025-03-25 00:51:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184615
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₃O₆
Molecular Mass	289.1274
SMILES	NC(CCN1CC(O)CC1C(=O)O)C(=O)NCC(=O)O
InChI Key	JLCGZTSANIMWSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,2-aminoalcohols alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives monoalkylamines n-acyl amines n-alkylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary alcohols secondary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid fatty amide alpha peptide organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alcohol alpha-amino acid amide azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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