DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:33 UTC
Update Date	2025-03-25 00:45:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152401
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₃N₃O₅
Molecular Mass	313.1638
SMILES	NC(CCN1CCCC1C(=O)N1CCCC1C(=O)O)C(=O)O
InChI Key	BZOSQSCCQHXJAQ-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 amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines n-alkylpyrrolidines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides tertiary carboxylic acid amides trialkylamines
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid 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 tertiary amine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid n-alkylpyrrolidine tertiary aliphatic amine amino fatty acid carboxamide group alpha-dipeptide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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