| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:40 UTC |
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| Update Date | 2025-03-25 00:57:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223705 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N4O4S |
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| Molecular Mass | 354.1362 |
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| SMILES | N=C(NCCSCC(N)C(=O)O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | PDKZTESWLUWGOZ-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 | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesorganic oxidesorganopnictogen compoundsphenylpropanoic acidssulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidguanidineimineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativessulfenyl compounddialkylthioethercarboximidamidearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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