| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:33 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239059 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO5S |
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| Molecular Mass | 221.0358 |
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| SMILES | NC(=O)CSCCC(C(=O)O)C(=O)O |
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| InChI Key | PBUJIJMCKILKOG-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 | thia fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsbranched fatty acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundcarboxamide groupcarboxylic acid derivativebranched fatty acidorganic oxidethia fatty acidorganic oxygen compoundthioetherorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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