| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:36 UTC |
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| Update Date | 2025-03-25 00:58:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232375 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H14N2O4S |
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| Molecular Mass | 222.0674 |
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| SMILES | CCC(O)=NC(CCS(N)=O)C(=O)O |
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| InChI Key | YWXKMNZJICDMJI-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 | aminosulfinyl compoundscarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivativessulfinic acid amidesthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfinic acid derivativefatty acidsulfinic acid amideorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundaminosulfinyl compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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