DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:50 UTC
Update Date	2025-03-25 00:59:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237458
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₅O₄S
Molecular Mass	313.0845
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CSCCC(O)C(=O)O)=N2
InChI Key	RCYGMEMPENDNRI-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 hydroxy acids and derivatives amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty acyls heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids ketimines monocarboxylic acids and derivatives monosaccharides organic oxides organopnictogen compounds primary amines propargyl-type 1,3-dipolar organic compounds pyrimidones secondary alcohols secondary alkylarylamines sulfenyl compounds thia fatty acids vinylogous amides
Substituents	fatty acyl ketimine carbonyl group carboxylic acid amino acid or derivatives amino acid imine alpha-hydroxy acid monosaccharide pyrimidone organosulfur compound carboxylic acid derivative pyrimidine propargyl-type 1,3-dipolar organic compound saccharide organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound hydroxy fatty acid alcohol vinylogous amide pterin sulfenyl compound azacycle dialkylthioether heteroaromatic compound organic 1,3-dipolar compound hydroxy acid secondary amine secondary aliphatic/aromatic amine monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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