DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:36 UTC
Update Date	2025-03-21 18:40:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128513
Frequency	19.8
Structure
Chemical Formula	C₁₈H₂₁N₇O₄
Molecular Mass	399.1655
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NCCC(=O)O)cc3)CC1CN2
InChI Key	CSRLDGLWKBOAAK-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 aniline and substituted anilines azacyclic compounds benzamides benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazopyrazines imidolactams lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylimidazolidines primary amines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine imidazopyrazine amino acid or derivatives amino acid benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound dialkylarylamine imidolactam vinylogous amide pterin azacycle aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group beta amino acid or derivatives secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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