DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:10 UTC
Update Date	2025-03-25 00:46:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156182
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉N₂O₃S+
Molecular Mass	307.1111
SMILES	Cc1c(CCC(N)C(=O)O)sc[n+]1Cc1ccccc1O
InChI Key	LZNMHTDAWZVZAF-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4,5-disubstituted thiazoles azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organonitrogen compounds organopnictogen compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organoheterocyclic compound azole azacycle heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid 4,5-disubstituted 1,3-thiazole monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound thiazole organooxygen compound

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