DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:58 UTC
Update Date	2025-03-25 00:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237768
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₉N₇O₃
Molecular Mass	369.1549
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(N)CCC(=O)O)cc3)cnc2[nH]1
InChI Key	AMSZUBKNHBLGQT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	pteridines and derivatives
Subclass	pterins and derivatives
Direct Parent	pterins and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines pyrazines pyrimidones secondary alkylarylamines vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid gamma amino acid or derivatives pyrimidone carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound pyrazine phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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