DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:37 UTC
Update Date	2025-03-25 00:54:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207226
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₄O₅
Molecular Mass	282.0964
SMILES	Nc1nc(=O)c2c([nH]1)NCC2(CCC(=O)O)CC(=O)O
InChI Key	GUNNJYNSRUNLRL-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	amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids organic oxides organopnictogen compounds primary amines pyrimidones pyrroles pyrrolopyrimidines secondary alkylarylamines vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid heterocyclic fatty acid fatty acid pyrimidone pyrimidine pyrrolopyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound delta amino acid or derivatives medium-chain fatty acid organoheterocyclic compound vinylogous amide azacycle heteroaromatic compound secondary amine amino fatty acid secondary aliphatic/aromatic amine organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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