| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:58:22 UTC |
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| Update Date | 2025-03-21 18:05:40 UTC |
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| HMDB ID | HMDB0041280 |
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| Metabolite Identification |
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| DeepMet ID | DMID00058281 |
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| Name | Raphanusamic acid |
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| Frequency | 54.2 |
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| Structure | |
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| Chemical Formula | C4H5NO2S2 |
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| Molecular Mass | 162.9762 |
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| SMILES | O=C(O)C1CSC(=S)N1 |
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| InChI Key | SQUOCHQOQMZGQP-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidscyclic dithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthiazolidinethiones |
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| Substituents | cyclic dithiocarbamic acid esterthiazolidinethionecarbonyl groupcarboxylic acidazacycleorganosulfur compounddithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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