DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:28 UTC
Update Date	2025-03-21 18:03:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00044463
Frequency	76.1
Structure
Chemical Formula	C₁₁H₁₄N₅OS+
Molecular Mass	264.0914
SMILES	Cc1ncc(C[n+]2csc(C(N)=O)c2C)c(N)n1
InChI Key	JIBAHTHQMYYZSJ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	azoles
Subclass	thiazoles
Direct Parent	thiazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides 4,5-disubstituted thiazoles amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams organic cations organic oxides organooxygen compounds organopnictogen compounds primary amines primary carboxylic acid amides pyrimidines and pyrimidine derivatives vinylogous amides
Substituents	primary carboxylic acid amide aromatic heteromonocyclic compound amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine organic oxide organonitrogen compound organopnictogen compound organic cation imidolactam vinylogous amide azacycle heteroaromatic compound carboxamide group 4,5-disubstituted 1,3-thiazole organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound thiazolecarboxamide amine organooxygen compound

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