DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:16 UTC
Update Date	2025-03-25 00:48:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02167665
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₇N₃O₇S
Molecular Mass	453.157
SMILES	CC(C)CCN(CC(=O)O)C(S)=Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	HSDULDBOJFIECD-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-phenylthioureas organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides thioureas tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group thiourea carboxylic acid n-phenylthiourea benzoyl tricarboxylic acid or derivatives organosulfur compound benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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