DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:49 UTC
Update Date	2025-03-21 18:41:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135926
Frequency	18.5
Structure
Chemical Formula	C₁₁H₁₁N₄O₃S+
Molecular Mass	279.0546
SMILES	Cc1ncc(C[n+]2csc(C(=O)O)c2C=O)c(N)n1
InChI Key	ZLAJMXQBPJIOMY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	thiazoles
Direct Parent	thiazolecarboxylic acids and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	4,5-disubstituted thiazoles amino acids aryl-aldehydes azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives organic cations organic oxides organooxygen compounds organopnictogen compounds primary amines pyrimidines and pyrimidine derivatives vinylogous amides
Substituents	carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid carboxylic acid derivative thiazolecarboxylic acid or derivatives pyrimidine organic oxide aryl-aldehyde organonitrogen compound organopnictogen compound organic cation imidolactam vinylogous amide azacycle heteroaromatic compound aldehyde 4,5-disubstituted 1,3-thiazole monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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