| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:59 UTC |
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| Update Date | 2025-03-25 00:55:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2O7S |
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| Molecular Mass | 322.0835 |
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| SMILES | CC(=O)NC1C(O)OC(C(=O)O)CC1SCC(N)C(=O)O |
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| InChI Key | QUVPCDFPRHFLFT-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 | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshemiacetalshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidorganosulfur compoundpyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneorganoheterocyclic compoundacetamidepyran carboxylic acid or derivativessulfenyl compounddialkylthioethercarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherpyrancysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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