| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:37 UTC |
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| Update Date | 2025-03-25 00:53:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO7S |
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| Molecular Mass | 281.0569 |
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| SMILES | CC(C(=O)NC(CCC(=O)O)C(=O)O)S(C)(=O)=O |
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| InChI Key | RFAOIWWUASMEPB-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidn-acyl-alpha-amino acidfatty acidglutamic acid or derivativesorganosulfur compoundcarboxamide groupsecondary carboxylic acid amideorganic oxidesulfonylorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfonen-acyl-alpha amino acid or derivatives |
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