DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:42 UTC
Update Date	2025-03-25 00:48:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02170886
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₂O₃S
Molecular Mass	296.1195
SMILES	CC(=O)NC(CSCC(N)Cc1ccccc1)C(=O)O
InChI Key	ORMPOQRTZOTHBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether cysteine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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