| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:08 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181118 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H9NO9S |
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| Molecular Mass | 270.9998 |
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| SMILES | O=C(O)CC(NC(=O)COS(=O)(=O)O)C(=O)O |
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| InChI Key | NRJXRAROGJYFGW-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfated fatty acidssulfuric acid monoesters |
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| Substituents | fatty acylaliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidorganic oxidealkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesorganic sulfuric acid or derivativesn-acyl-alpha-amino acidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundsulfated fatty acidaspartic acid or derivativesdicarboxylic acid or derivativessulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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