| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:43 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19N3O6S |
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| Molecular Mass | 369.0995 |
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| SMILES | N=C(NCCSCc1ccccc1C(=O)O)NC(CC(=O)O)C(=O)O |
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| InChI Key | NRVYRSJCSLIFSY-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 | 1-carboxy-2-haloaromatic compoundsalpha amino acidsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboximidamidesdialkylthioethersguanidineshydrocarbon derivativesiminesorganic oxidesorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminebenzoyltricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidsulfenyl compounddialkylthioetherbenzoic acid or derivativescarboximidamidearomatic homomonocyclic compoundorganic oxygen compoundthioetheraspartic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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