DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:04 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205969
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄N₄O₆
Molecular Mass	344.1696
SMILES	NC(CCC(=O)NCCC(N)C(=O)N1CCCC1C(=O)O)C(=O)O
InChI Key	QADUAUOIPXRXIY-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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