| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:41 UTC |
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| Update Date | 2025-03-25 00:54:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H16N2O4S2 |
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| Molecular Mass | 268.0551 |
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| SMILES | CC(CCSSCCC(N)C(=O)O)[N+](=O)[O-] |
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| InChI Key | RXEYANPJFOFZBN-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acidsdialkyldisulfideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidallyl-type 1,3-dipolar organic compoundfatty acidorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumsulfenyl compoundorganic 1,3-dipolar compounddialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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