| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:16 UTC |
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| Update Date | 2025-03-21 18:06:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065158 |
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| Frequency | 47.0 |
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| Structure | |
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| Chemical Formula | C5H11N3O5S |
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| Molecular Mass | 225.0419 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCS(=O)(=O)O |
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| InChI Key | LJQAWIXBXIYNES-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 | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | organosulfonic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundsdialkylamineshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic amineorganosulfonic acidallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundsecondary amineorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfonylorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumamineorganic hyponitrite |
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