| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:21 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H11NO3S |
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| Molecular Mass | 177.046 |
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| SMILES | NCCSCC(O)C(O)=C=O |
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| InChI Key | PJAFJZQTGPNHSC-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 acyclic compounds |
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| Alternative Parents | dialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsynolates |
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| Substituents | aliphatic acyclic compoundsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxideynolatethioetherorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound |
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