DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:43 UTC
Update Date	2025-03-25 00:57:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223847
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₄O₅
Molecular Mass	298.1277
SMILES	NC(CC(=O)O)C(=O)NC(CCC(=O)O)Cc1cnc[nH]1
InChI Key	XAUMKPGBLOZLDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles medium-chain fatty acids monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid gamma amino acid or derivatives fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound azole alpha-amino acid amide azacycle heteroaromatic compound carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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