| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:01 UTC |
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| Update Date | 2025-03-25 00:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H28N2O4S |
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| Molecular Mass | 344.177 |
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| SMILES | NC(=O)CCCCC1C=CC(O)CC1CSCCC(N)C(=O)O |
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| InChI Key | YUIHLYCISJGHKO-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 acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbocyclic fatty acidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty amideshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | primary carboxylic acid amidefatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioethercarboxamide groupmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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