| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:58 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198877 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H28N4O5S |
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| Molecular Mass | 364.178 |
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| SMILES | NC(CCCCNC(CS)C(=O)NCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | XJGOXANBPISWOY-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 acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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