| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:25 UTC |
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| Update Date | 2025-03-21 18:36:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111369 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C15H18N2O5S2 |
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| Molecular Mass | 370.0657 |
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| SMILES | CC(=O)NC(CSC(=S)NC(Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | JKWWKKFHJOMVEQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesdithiocarbamic acid estershydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidedithiocarbamic acid esterphenylalanine or derivativesorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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