| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:09 UTC |
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| Update Date | 2025-03-25 00:55:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N3O5S2+ |
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| Molecular Mass | 310.0526 |
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| SMILES | CC(=O)NC(CSC(=S)NCCC[N+](=O)O)C(=O)O |
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| InChI Key | AILYVYSNQAALHJ-UHFFFAOYSA-O |
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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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsc-nitro compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumacetamidesulfenyl compoundn-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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