| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:27 UTC |
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| Update Date | 2025-03-25 00:47:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158994 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H9NO4S |
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| Molecular Mass | 179.0252 |
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| SMILES | OCC1OC(S)=NC(O)C1O |
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| InChI Key | BFSQMQCBEYKCBR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | secondary alcohols |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkanolaminesazacyclic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundoxacyclealiphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganoheterocyclic compoundalkanolamine |
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