| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:19 UTC |
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| Update Date | 2025-03-25 01:01:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O6S |
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| Molecular Mass | 323.1151 |
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| SMILES | NCCCCC(NC(=O)C1CCCN1S(=O)(=O)O)C(=O)O |
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| InChI Key | VDSKKDPDKWRBHJ-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 acid amidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidessulfuric acid monoamides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrrolidineorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesorganic sulfuric acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidcarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsulfuric acid monoamidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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