| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:19 UTC |
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| Update Date | 2025-03-25 00:45:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H28N4O5S |
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| Molecular Mass | 400.178 |
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| SMILES | NC(CCCCNC(=O)CCCCC1SC(=O)NC2CC(=O)NC21)C(=O)O |
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| InChI Key | XJAHWDYQTLGSGG-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onessecondary carboxylic acid amidesthiazinanesthiolactones |
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| Substituents | fatty acyl2-pyrrolidonecarbonyl grouplactamcarboxylic acidheterocyclic fatty acidfatty amidefatty acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrrolidinepyrrolidonethiolactoneorganoheterocyclic compoundcarbonic acid derivativeazacyclecarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-thiazinaneorganooxygen compound |
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