| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:34 UTC |
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| Update Date | 2025-03-25 00:50:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179807 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H22N2O6S |
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| Molecular Mass | 322.1199 |
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| SMILES | CS(=O)(=O)CCCNC(CCN1CCC1C(=O)O)C(=O)O |
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| InChI Key | IJKIFHJBRKKOOX-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsazacyclic compoundsazetidinecarboxylic acidsazetidinescarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfonestrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidazetidinecarboxylic acidorganosulfur compoundorganic oxidealiphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundsecondary aliphatic amineazacycletertiary aliphatic aminesecondary amineamino fatty acidazetidinesulfonylorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundsulfone |
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