DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:05 UTC
Update Date	2025-03-25 00:54:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208324
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₇O₅S
Molecular Mass	477.1794
SMILES	CC(C)CCN(CC(=O)O)S(=O)(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1
InChI Key	QQDPFRLUUOLIKP-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 aminosulfonyl compounds azacyclic compounds benzenesulfonamides benzenesulfonyl compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives ketimines monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonamides phenylalkylamines primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines vinylogous amides
Substituents	ketimine organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid imine pyrimidone alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organosulfonic acid amide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound benzenesulfonyl group vinylogous amide pterin benzenesulfonamide azacycle aminosulfonyl compound heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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