| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:06 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO8S |
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| Molecular Mass | 271.0362 |
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| SMILES | O=C(O)CNCC(O)CCC(=O)OS(=O)(=O)O |
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| InChI Key | WWVCQHKTZTZBQE-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 acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | aliphatic acyclic compoundsulfuric acid monoestercarbonyl groupcarboxylic acidamino acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic amineorganic sulfuric acid or derivativessecondary amineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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