| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:40 UTC |
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| Update Date | 2025-03-25 00:51:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184534 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO9S |
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| Molecular Mass | 353.0781 |
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| SMILES | NC(CCSC1C(C(O)CO)OC(=O)C1(O)CC(=O)O)C(=O)O |
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| InChI Key | RBHYMINMIHKKDG-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 | carbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylthioethersfatty acylsgamma butyrolactoneshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholssulfenyl compoundstertiary alcoholstetrahydrofuransthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundlactoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidprimary alcoholorganoheterocyclic compoundalcoholsulfenyl compoundtetrahydrofurandialkylthioethergamma butyrolactoneoxacycletertiary alcoholthia fatty acidorganic oxygen compoundthioethercarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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