| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:59 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O6S2 |
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| Molecular Mass | 334.0293 |
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| SMILES | O=C(O)C1=NC(C(=O)N2CC(O)CC2C(=O)O)CSSC1 |
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| InChI Key | DZCVLDCLVSNWRI-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesketiminesn-acylpyrrolidinesorganic disulfidesorganic oxidesorganopnictogen compoundsproline and derivativespropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminen-acylpyrrolidinepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide grouppyrrolidine carboxylic acid or derivativesorganic oxygen compoundorganic disulfidesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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