DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:36 UTC
Update Date	2025-03-21 18:06:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063563
Frequency	48.6
Structure
Chemical Formula	C₁₂H₁₆N₅O₂S+
Molecular Mass	294.1019
SMILES	Cc1ncc(C[n+]2csc(CC(N)C(=O)O)c2)c(N)n1
InChI Key	YUBNYNDBFVFQND-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organopnictogen compounds pyrimidines and pyrimidine derivatives thiazoles
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation imidolactam organoheterocyclic compound azole azacycle heteroaromatic compound monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound thiazole amine organooxygen compound

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