DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:31 UTC
Update Date	2025-03-21 18:06:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063379
Frequency	48.7
Structure
Chemical Formula	C₁₂H₁₆N₅OS+
Molecular Mass	278.107
SMILES	Cc1ncc(C[n+]2csc(CC(N)=O)c2C)c(N)n1
InChI Key	MTTGUHBRJACYGK-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	diazines
Subclass	pyrimidines and pyrimidine derivatives
Direct Parent	thiamines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	4,5-disubstituted thiazoles amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams organic cations organic oxides organopnictogen compounds primary amines primary carboxylic acid amides
Substituents	primary carboxylic acid amide carbonyl group aromatic heteromonocyclic compound amino acid or derivatives carboxylic acid derivative organic oxide thiamine organonitrogen compound organopnictogen compound organic cation imidolactam azole azacycle heteroaromatic compound carboxamide group 4,5-disubstituted 1,3-thiazole organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound thiazole amine organooxygen compound

Showing information for DMID00063379