DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:51 UTC
Update Date	2025-03-25 00:52:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194018
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₇O₅
Molecular Mass	431.1917
SMILES	CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NCC(O)CC(=O)O)cc1
InChI Key	RWHOKQHTOIKKQH-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 benzamides benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams lactams monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines primary amines pyrimidones secondary alcohols secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group lactam carboxylic acid amino acid or derivatives amino acid gamma amino acid or derivatives benzoyl pyrimidone carboxylic acid derivative benzamide pyrimidine beta-hydroxy acid organic oxide aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound dialkylarylamine imidolactam tertiary amine alcohol vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives hydroxy acid secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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