| 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 | DMID02152436 |
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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 | NC(CCSC1CC(C(=O)O)NC1(O)CC(=O)O)C(=O)O |
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| InChI Key | BCSIXLXYVMFPJS-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshemiaminalshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundhemiaminalorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidpyrrolidineorganoheterocyclic compoundalkanolamineproline or derivativessecondary aliphatic aminesulfenyl compoundazacycledialkylthioethersecondary aminethia fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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