| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:34 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152431 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N2O8S2 |
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| Molecular Mass | 440.1287 |
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| SMILES | NC(CCSC1C(CCC(=O)O)CC(O)C(O)C1SCC(N)C(=O)O)C(=O)O |
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| InChI Key | BHIPQYNEYXAVBI-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 homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclohexanolsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidtricarboxylic acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acid1,2-diolalcoholsulfenyl compounddialkylthioethercyclohexanolcyclic alcoholthia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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