| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:25 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163404 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO7S |
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| Molecular Mass | 265.0256 |
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| SMILES | O=C(O)C(=O)CSCCC(O)=NC(O)C(=O)O |
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| InChI Key | FTCKIJKBEUVXMV-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 | alkanolaminesalpha hydroxy acids and derivativesalpha-hydroxy ketonesalpha-keto acids and derivativescarboximidic acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidalpha-hydroxy acidorganosulfur compoundalpha-hydroxy ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundalkanolaminesulfenyl compounddialkylthioetherorganic 1,3-dipolar compoundhydroxy acidorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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