| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:52 UTC |
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| Update Date | 2025-03-25 00:56:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O7S |
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| Molecular Mass | 336.0991 |
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| SMILES | CC(C)C(SCC(NC(=O)CC(N)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | BUJXHKYMYBGZBF-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 | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsasparagine and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidetricarboxylic acid or derivativesalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesn-acyl-alpha amino acid or derivativessulfenyl compoundn-acyl-alpha-amino aciddialkylthioethercarboxamide groupn-acyl-aminesecondary carboxylic acid amidethia fatty acidorganic oxygen compoundthioethercysteine or derivativeshybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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