DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:55 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153276
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₉N₇O₄
Molecular Mass	349.1499
SMILES	NC(=O)CCC(NC(=O)C(N)Cc1c[nH]c2ncnc(N)c12)C(=O)O
InChI Key	QVDULTIRHXBBOB-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary carboxylic acid amides pyrimidines and pyrimidine derivatives pyrroles pyrrolo[2,3-d]pyrimidines secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives pyrimidine pyrrolopyrimidine organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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