DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:03 UTC
Update Date	2025-03-25 00:45:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151236
Frequency	0.5
Structure
Chemical Formula	C₁₈H₁₉N₄O₂S₂+
Molecular Mass	387.0944
SMILES	Cc1ncc(C[n+]2csc(CSc3ccc(C(=O)O)cc3)c2C)c(N)n1
InChI Key	DTZUONHYYOQBBX-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	p-sulfanylbenzoic acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	4,5-disubstituted thiazoles alkylarylthioethers amino acids azacyclic compounds benzoic acids benzoyl derivatives 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 sulfenyl compounds thiophenol ethers thiophenols
Substituents	carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl alkylarylthioether organosulfur compound carboxylic acid derivative aryl thioether pyrimidine organic oxide thiophenol thiophenol ether organonitrogen compound organopnictogen compound organic cation benzoic acid imidolactam organoheterocyclic compound azole sulfenyl compound azacycle heteroaromatic compound p-sulfanylbenzoic acid 4,5-disubstituted 1,3-thiazole monocarboxylic acid or derivatives organic oxygen compound thioether hydrocarbon derivative primary amine organic nitrogen compound thiazole amine organooxygen compound

Showing information for DMID02151236