| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:28 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200046 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20N4O4S |
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| Molecular Mass | 340.1205 |
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| SMILES | N=C(NCCSCc1ccc(N)cc1)NC(CC(=O)O)C(=O)O |
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| InChI Key | MUFKZWPGKBZKLJ-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundsprimary aminessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidguanidineimineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsulfenyl compounddialkylthioethercarboximidamidearomatic homomonocyclic compoundorganic oxygen compoundthioetheraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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