DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:11 UTC
Update Date	2025-03-25 00:51:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185727
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₀N₈O₈S
Molecular Mass	496.1125
SMILES	Nc1nc2c(nc3c(=O)[nH]c(=O)nc-3n2C2OC(CSCCC(N)C(=O)O)C(O)C2O)c(=O)[nH]1
InChI Key	FHAKVUZXXKRASL-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	1,2-diols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids lactams monoalkylamines monocarboxylic acids and derivatives monosaccharides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pyrazines pyrimidones secondary alcohols sulfenyl compounds tetrahydrofurans thia fatty acids vinylogous amides
Substituents	fatty acyl carbonyl group lactam carboxylic acid amino acid or derivatives amino acid monosaccharide pyrimidone alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid 1,2-diol alcohol vinylogous amide pterin carbonic acid derivative sulfenyl compound azacycle tetrahydrofuran dialkylthioether heteroaromatic compound oxacycle monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether pyrazine secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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