DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151801
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₈
Molecular Mass	334.1376
SMILES	NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(O)CCC(=O)O
InChI Key	SIRXKFIKSDDFPT-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 delta amino acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide tricarboxylic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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