DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:35 UTC
Update Date	2025-03-25 00:48:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166081
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₄N₈O₄
Molecular Mass	428.1921
SMILES	CC1Nc2[nH]c(N)nc(=O)c2N=C1CNc1ccc(C(=O)NCCC(N)C(=O)O)cc1
InChI Key	NEPGDOHYINCNPD-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	alpha amino acids amino acids azacyclic compounds benzamides benzoyl derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives ketimines monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalkylamines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	ketimine monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid imine benzoyl pyrimidone alpha-amino acid or derivatives carboxylic acid derivative benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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