DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:32 UTC
Update Date	2025-03-21 18:28:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070609
Frequency	42.6
Structure
Chemical Formula	C₁₀H₁₆N₄O₃
Molecular Mass	240.1222
SMILES	CC(C)CC(NC(=O)c1[nH]cnc1N)C(=O)O
InChI Key	NFBNOLOYIOYNSD-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	leucine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid 2-heteroaryl carboxamide organic oxide imidazole leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group imidolactam organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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