| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:53 UTC |
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| Update Date | 2025-03-21 18:33:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097773 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C9H18N2O4S |
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| Molecular Mass | 250.0987 |
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| SMILES | NCCCCC(NC(CS)C(=O)O)C(=O)O |
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| InChI Key | OWAZXPPZHVNZNC-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundsorganosulfur compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminesecondary amineorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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