DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:37:08 UTC
Update Date	2025-03-21 17:57:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00008795
Frequency	553.7
Structure
Chemical Formula	C₁₃H₁₇N₄O₂S+
Molecular Mass	293.1067
SMILES	Cc1ncc(C[n+]2csc(CCC(=O)O)c2C)c(N)n1
InChI Key	SHIATVYENXXSHI-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 azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives organic cations organic oxides organopnictogen compounds primary amines
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid carboxylic acid derivative organic oxide thiamine organonitrogen compound organopnictogen compound organic cation imidolactam azole azacycle heteroaromatic compound 4,5-disubstituted 1,3-thiazole monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound thiazole amine organooxygen compound

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