DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:01 UTC
Update Date	2025-03-25 00:54:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205845
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂O₇
Molecular Mass	302.1114
SMILES	NC(C=CC(=O)NC(CCC(=O)O)C(=O)O)CCC(=O)O
InChI Key	IWCJKPVJKAHMJE-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 acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid n-acyl-alpha-amino acid gamma amino acid or derivatives tricarboxylic acid or derivatives glutamic acid or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxide organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound n-acyl-alpha amino acid or derivatives

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