DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:37 UTC
Update Date	2025-03-25 00:53:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200391
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₁N₄OS+
Molecular Mass	341.1431
SMILES	Cc1ncc(C[n+]2csc(CCc3ccccc3O)c2C)c(N)n1
InChI Key	SXZKSLJREJBSQD-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4,5-disubstituted thiazoles azacyclic compounds benzene and substituted derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams organic cations organooxygen compounds organopnictogen compounds primary amines
Substituents	monocyclic benzene moiety aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid thiamine organonitrogen compound organopnictogen compound organic cation imidolactam azole azacycle heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid 4,5-disubstituted 1,3-thiazole organic oxygen compound phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound thiazole amine organooxygen compound

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