DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:40 UTC
Update Date	2025-03-25 00:49:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02173110
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₈N₄O₅
Molecular Mass	356.206
SMILES	CCC(C)C(N)C(=O)N1CCCC1C(=O)NC(=O)CCC(N)C(=O)O
InChI Key	OIGJOSNEWUCEMT-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 branched fatty acids carbonyl compounds carboxylic acids dicarboximides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidinecarboxamides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid imide, n-unsubstituted organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide pyrrolidine isoleucine or derivatives organoheterocyclic compound proline or derivatives alpha-amino acid amide azacycle carboxamide group branched fatty acid n-acyl-amine carboxylic acid imide alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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