| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:15 UTC |
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| Update Date | 2025-03-25 00:58:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231575 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O7S |
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| Molecular Mass | 294.0522 |
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| SMILES | CC1OS(=O)(=O)NC1C(=O)N1CC(O)CC1C(=O)O |
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| InChI Key | IHTXYRMCUGDDPP-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganic sulfuric acids and derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxathiazolidinesproline and derivativespyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acid1,2,3-oxathiazolidinen-acylpyrrolidinealpha-amino acid or derivativesorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalcoholorganic sulfuric acid or derivativesazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptideoxacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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