| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:42 UTC |
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| Update Date | 2025-03-25 00:53:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202826 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO6S |
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| Molecular Mass | 265.062 |
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| SMILES | O=C(O)CSCCNC(=O)CCC(O)C(=O)O |
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| InChI Key | CIESYCSHPWXAOU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidesshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidfatty amidemonosaccharideorganosulfur compoundcarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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