| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:36 UTC |
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| Update Date | 2025-03-25 00:47:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163794 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO8S |
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| Molecular Mass | 337.0831 |
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| SMILES | CC1(CC(=O)O)OCC(O)(CC(=O)O)C1SCC(N)C(=O)O |
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| InChI Key | VAHWQIFSHIUVOM-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkyl ethersdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compoundstertiary alcoholstetrahydrofuransthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidtricarboxylic acid or derivativesorganosulfur compounddialkyl etherorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholsulfenyl compoundtetrahydrofurandialkylthioetheroxacycletertiary alcoholthia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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