DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:30 UTC
Update Date	2025-03-25 00:50:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179655
Frequency	0.5
Structure
Chemical Formula	C₉H₁₁N₅O₄S
Molecular Mass	285.0532
SMILES	CSC1=Nc2c([nH]c(N)nc2=O)NC1(O)CC(=O)O
InChI Key	GGOLQIWHVYOGDR-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	alkanolamines amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidothiolactones monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alkylarylamines sulfenyl compounds thia fatty acids vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid pyrimidone organosulfur compound carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound hydroxy fatty acid alkanolamine vinylogous amide pterin sulfenyl compound azacycle heteroaromatic compound organic 1,3-dipolar compound secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives thia fatty acid organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine imidothiolactone organooxygen compound

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