DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:39 UTC
Update Date	2025-03-25 00:51:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184512
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₂O₆S
Molecular Mass	370.1199
SMILES	NC(Cc1ccccc1)C(=O)NC(CSCCC(O)C(=O)O)C(=O)O
InChI Key	OFGKTBRIRYOBDE-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkylthioethers dicarboxylic acids and derivatives fatty amides hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary alcohols secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid alpha-hydroxy acid fatty amide monosaccharide alpha-amino acid or derivatives organosulfur compound saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether hydroxy acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide thia fatty acid phenylalanine or derivatives organic oxygen compound thioether cysteine or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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