DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:41 UTC
Update Date	2025-03-21 18:38:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119282
Frequency	21.9
Structure
Chemical Formula	C₁₄H₂₁N₇O₃
Molecular Mass	335.1706
SMILES	CC(=O)OCCN1CCN(C2=Nc3c([nH]c(N)nc3=O)NC2)CC1
InChI Key	KHOQEBAXYSNLKJ-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	amidines amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acid esters heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives n-alkylpiperazines organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines trialkylamines vinylogous amides
Substituents	carbonyl group amino acid or derivatives pyrimidone amidine carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide piperazine aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound imidolactam tertiary amine vinylogous amide pterin azacycle n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound 1,4-diazinane carboxylic acid ester hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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