DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:39 UTC
Update Date	2025-03-21 17:59:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00018980
Frequency	217.1
Structure
Chemical Formula	C₁₁H₁₈N₄O₃
Molecular Mass	254.1379
SMILES	Cn1cnc(CC(NC(=O)CCCN)C(=O)O)c1
InChI Key	UTXFDRMSODLYJC-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound gamma amino acid or derivatives fatty amide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-substituted imidazole azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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