| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:35 UTC |
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| Update Date | 2025-03-21 18:28:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073131 |
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| Frequency | 40.8 |
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| Structure | |
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| Chemical Formula | C9H14N2O5S |
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| Molecular Mass | 262.0623 |
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| SMILES | O=C(O)CCC(NC(=O)C1CSCN1)C(=O)O |
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| InChI Key | SAGGPRBTRWMWJL-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 | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesglutamic acid and derivativesheterocyclic fatty acidshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic amineazacyclen-acyl-alpha-amino aciddialkylthioetherglutamic acid or derivativessecondary aminecarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaminethiazolidine |
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