DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:10 UTC
Update Date	2025-03-21 18:41:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132219
Frequency	19.1
Structure
Chemical Formula	C₁₀H₁₄N₂O₅
Molecular Mass	242.0903
SMILES	O=C(O)CCC(NC(=O)C1CCC=N1)C(=O)O
InChI Key	KQKPEEAXAZUJMO-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	glutamic acid and derivatives
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives imines n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrroline carboxylic acids and derivatives secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid imine fatty acid propargyl-type 1,3-dipolar organic compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid pyrroline carboxylic acid or derivatives organic 1,3-dipolar compound glutamic acid or derivatives carboxamide group secondary carboxylic acid amide pyrroline organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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