DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:47 UTC
Update Date	2025-03-25 00:58:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230488
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₅O₃
Molecular Mass	267.1331
SMILES	CN1c2c(nc(N)[nH]c2=O)NCC1(C)CCC(=O)O
InChI Key	MTWVSVNLUBLQCZ-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 azacyclic compounds carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidolactams lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines pterins and derivatives pyrimidones secondary alkylarylamines vinylogous amides
Substituents	carbonyl group lactam carboxylic acid amino acid pyrimidone pyrimidine organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound delta amino acid or derivatives dialkylarylamine imidolactam tertiary amine organoheterocyclic compound vinylogous amide pterin azacycle heteroaromatic compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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