DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:08 UTC
Update Date	2025-03-25 00:47:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162759
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇N₃O₄
Molecular Mass	267.1219
SMILES	O=C(NC1C(=O)N2C(C(=O)O)CCC12)C1CCCN1
InChI Key	KUFXMBXIQWNVEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds azepanes azetidines caprolactams carbapenams carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	caprolactam carbonyl group lactam carboxylic acid amino acid or derivatives amino acid alpha-amino acid or derivatives carboxylic acid derivative aliphatic heteropolycyclic compound organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine carbapenam organoheterocyclic compound n-acyl-alpha amino acid or derivatives cyclic hybrid peptide proline or derivatives secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group azetidine secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives azepane organic oxygen compound hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide beta-lactam organooxygen compound amine

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