DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:23 UTC
Update Date	2025-03-25 00:51:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186216
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₄O₇
Molecular Mass	348.1645
SMILES	NCCCC(=O)NC(C(=O)O)C(O)CNC(=O)CCC(N)C(=O)O
InChI Key	VIQAJDSZRBCHKR-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives gamma amino acid or derivatives fatty amide fatty acid beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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