| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:03 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO6S |
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| Molecular Mass | 239.0464 |
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| SMILES | O=C(O)CCC(=O)CNCCS(=O)(=O)O |
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| InChI Key | GEILEAKWECKJCP-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 | amino acidscarboxylic acidsdialkylaminesgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidsshort-chain keto acids and derivativessulfonyls |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidshort-chain keto acidorganosulfur compoundketoneorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativessecondary aliphatic aminesecondary aminegamma-keto acidmonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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