DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:48 UTC
Update Date	2025-03-25 00:59:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239637
Frequency	0.5
Structure
Chemical Formula	C₈H₁₁N₅O₄
Molecular Mass	241.0811
SMILES	NCC(C(=O)O)n1cc(C(N)=O)c(N)nc1=O
InChI Key	ZSIXPOKVLOSQNG-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	beta amino acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organopnictogen compounds primary carboxylic acid amides pyrimidinecarboxylic acids and derivatives pyrimidones vinylogous amides
Substituents	primary carboxylic acid amide carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid pyrimidone alpha-amino acid or derivatives pyrimidine organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound vinylogous amide carbonic acid derivative azacycle heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group beta amino acid or derivatives monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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