| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:59 UTC |
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| Update Date | 2025-03-25 00:48:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167046 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10N2O5S |
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| Molecular Mass | 234.031 |
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| SMILES | CC(=O)SCCNC(=C[N+](=O)[O-])C(=O)O |
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| InChI Key | QASXMJPQYRDFOS-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 | amino acidsc-nitro compoundscarbonyl compoundscarbothioic s-esterscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthioestersthiolactones |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundcarbothioic s-esterpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumthiolactonesecondary aliphatic aminethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid esterorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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