| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:26 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152150 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15N3O5S2 |
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| Molecular Mass | 297.0453 |
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| SMILES | NC(CCSSCCNC(O)=C[N+](=O)[O-])C(=O)O |
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| InChI Key | VFLGSMSKHMGLMJ-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 | alkanolaminesamino acidsc-nitro compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkyldisulfidesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganic oxoazaniumalkanolaminesecondary aliphatic aminesulfenyl compoundorganic 1,3-dipolar compoundsecondary aminedialkyldisulfidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamineorganic hyponitrite |
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