DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:15 UTC
Update Date	2025-03-21 18:05:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00055652
Frequency	57.5
Structure
Chemical Formula	C₂₀H₂₁N₇O₆
Molecular Mass	455.1553
SMILES	Nc1nc(=O)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)CC(=O)O)cc3)cnc2[nH]1
InChI Key	RMYZNFFUDITZRM-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 amino fatty acids azacyclic compounds benzamides benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids organic oxides organopnictogen compounds phenylalkylamines primary amines pyrazines pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid benzoyl fatty acid pyrimidone carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group amino fatty acid beta amino acid or derivatives secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound pyrazine dicarboxylic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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