| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:07 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156063 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25N3O5S |
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| Molecular Mass | 335.1515 |
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| SMILES | CSCCC(NCC(=O)O)C(=O)NC(CCCCN)C(=O)O |
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| InChI Key | OSRGUQWBVDTNBI-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmethionine and derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acid or derivativesamino acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidn-acyl-alpha amino acid or derivativessecondary aliphatic aminesulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethersecondary aminecarboxamide groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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