DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:48 UTC
Update Date	2025-03-25 00:51:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184844
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₇N₇O₅
Molecular Mass	351.1291
SMILES	N=c1[nH]c(=O)c2c(CC(NC(=O)C(N)CC(N)=O)C(=O)O)c[nH]c2[nH]1
InChI Key	KEWISEULNDRAGD-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 asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides pyrimidones pyrroles pyrrolo[2,3-d]pyrimidines secondary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group lactam carboxylic acid fatty amide pyrimidone alpha-amino acid or derivatives pyrimidine pyrrolopyrimidine organic oxide pyrrolo[2,3-d]pyrimidine aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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