| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:33 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252918 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO8S |
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| Molecular Mass | 285.0518 |
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| SMILES | O=C(O)C(O)CCC(NCCS(=O)(=O)O)C(=O)O |
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| InChI Key | OTYAJQMWCYJLQA-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 | delta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsalpha hydroxy acids and derivativesamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsorganosulfonic acidssecondary alcoholssulfonyls |
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| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidalpha-hydroxy acidorganosulfonic acidmonosaccharidefatty acidalpha-amino acid or derivativesorganosulfur compoundmedium-chain hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidhydroxy fatty acidalcoholsecondary aliphatic aminehydroxy acidsecondary aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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