DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:08:08 UTC
Update Date	2025-03-21 18:30:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081733
Frequency	48.7
Structure
Chemical Formula	C₁₅H₂₅N₅O₄
Molecular Mass	339.1907
SMILES	CC(C)CC(NC(=O)C(Cc1cnc[nH]1)NC(=O)C(C)N)C(=O)O
InChI Key	KMGOBAQSCKTBGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidazoles leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds peptides secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives carboxylic acid derivative alpha peptide organic oxide imidazole leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-substituted-alpha-amino acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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