| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:47 UTC |
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| Update Date | 2025-03-25 00:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221674 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO10S |
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| Molecular Mass | 367.0573 |
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| SMILES | O=C(O)CCC(NC(CSC(CC(=O)O)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | PPXHMLGHYIHJLA-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersfatty acylsglutamic acid and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioetherglutamic acid or derivativessecondary aminepentacarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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