DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:06 UTC
Update Date	2025-03-25 00:58:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02231224
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₂O₅S
Molecular Mass	328.1093
SMILES	CCN(CC(=O)NC(Cc1ccccc1)C(=O)O)S(C)(=O)=O
InChI Key	MYZKLOZKKRGHAX-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 acids aminosulfonyl compounds amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organic sulfonamides organonitrogen compounds organopnictogen compounds organosulfonamides phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid alpha-amino acid or derivatives organosulfur compound organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives aminosulfonyl compound n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl phenylalanine or derivatives organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organic sulfonic acid amide organooxygen compound

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