DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:06 UTC
Update Date	2025-03-25 00:47:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160395
Frequency	0.5
Structure
Chemical Formula	C₉H₁₂N₄O₄
Molecular Mass	240.0859
SMILES	Nc1ccc(NCCC(O)C(=O)O)nc(=O)n1
InChI Key	XZRDUZIUFCQBIJ-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds primary amines secondary alcohols secondary alkylarylamines
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid gamma amino acid or derivatives alpha-hydroxy acid monosaccharide saccharide organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound alcohol carbonic acid derivative azacycle heteroaromatic compound hydroxy acid secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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