| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:43 UTC |
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| Update Date | 2025-03-25 00:56:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H17NO6S |
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| Molecular Mass | 279.0777 |
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| SMILES | O=C(O)CCCCCC1CC(C(=O)O)NS1(=O)=O |
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| InChI Key | YWUZTVHTOOINFD-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesgamma sultamsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | fatty acylorganosulfonic acid or derivativescarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidgamma-sultamorganosulfonic acid amideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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