DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:11 UTC
Update Date	2025-03-25 00:45:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151543
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅N₅O₆
Molecular Mass	383.1805
SMILES	Cn1cncc1CC(NC(=O)CCCNC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	DMZVZSBSYAWELY-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	glutamine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives 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 n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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