| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:50 UTC |
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| Update Date | 2025-03-25 00:55:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214833 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H25N3O5S |
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| Molecular Mass | 323.1515 |
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| SMILES | CCC(C)C(N)C(=O)NC(CCCNS(C)(=O)=O)C(=O)O |
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| InChI Key | DAIBLOAOPXDSLT-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 acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaminosulfonyl compoundsbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesisoleucine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganosulfonic acid amideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amideaminosulfonyl compoundn-acyl-alpha-amino acidcarboxamide groupbranched fatty acidn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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