| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:19 UTC |
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| Update Date | 2025-03-25 00:55:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213690 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H11N3O2S3 |
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| Molecular Mass | 241.0013 |
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| SMILES | CNC(=C[N+](=O)[O-])NCCS(=S)S |
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| InChI Key | XGHUXRRBQYFSDF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | c-nitro compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkylamineshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminesecondary amineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumamineorganic hyponitrite |
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