DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:24 UTC
Update Date	2025-03-21 18:31:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087044
Frequency	32.7
Structure
Chemical Formula	C₁₀H₁₄N₆O₄
Molecular Mass	282.1077
SMILES	Nc1nc(=O)c2c([nH]1)NCC(C(O)CC(N)C(=O)O)=N2
InChI Key	WLACKORVKQZMAL-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 carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives ketimines monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines vinylogous amides
Substituents	ketimine carbonyl group carboxylic acid amino acid or derivatives amino acid imine pyrimidone alpha-amino acid or derivatives carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound alcohol vinylogous amide pterin azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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