| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:26 UTC |
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| Update Date | 2025-03-25 00:49:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02174896 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28N2O6S |
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| Molecular Mass | 388.1668 |
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| SMILES | CCCC=CC=CC(SCC(NC(N)=O)C(=O)O)C(O)CCCC(=O)O |
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| InChI Key | XTMJOSHFKSYXJD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | long-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl grouplong-chain fatty acidcarboxylic acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholcarbonic acid derivativesulfenyl compounddialkylthioethern-carbamoyl-alpha-amino acidthia fatty acidorganic oxygen compoundthioethercysteine or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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