DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:10 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160563
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₆O₄
Molecular Mass	294.1077
SMILES	Nc1ncnc2c1ncn2C(CC(=O)O)CC(N)C(=O)O
InChI Key	MOLWALYDVBXRCC-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	delta amino acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles imidolactams medium-chain fatty acids monoalkylamines n-substituted imidazoles organic oxides organopnictogen compounds purines and purine derivatives pyrimidines and pyrimidine derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid imidolactam organoheterocyclic compound azole n-substituted imidazole azacycle heteroaromatic compound amino fatty acid organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine primary amine purine organic nitrogen compound amine organooxygen compound

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