| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:29 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21NO8S |
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| Molecular Mass | 351.0988 |
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| SMILES | NC(CSC1C(CCCCC(=O)O)OC(=O)C(O)C1O)C(=O)O |
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| InChI Key | YGLIHTPVTKNJNX-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 | 1,2-diolsalpha amino acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdelta valerolactonesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanessecondary alcoholssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic aciddelta valerolactonemonosaccharidetricarboxylic acid or derivativesorganosulfur compoundlactonesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanedelta_valerolactoneorganoheterocyclic compound1,2-diolalcoholsulfenyl compounddialkylthioetheroxacycleorganic oxygen compoundthioethercysteine or derivativescarboxylic acid estersecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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