| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:51 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153119 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H31N5O6S |
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| Molecular Mass | 457.1995 |
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| SMILES | NC(=O)CC1C(=O)NC2C(CCCCC(=O)NCCCCC(N)C(=O)O)SC(=O)NC12 |
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| InChI Key | IPIVTIRBJYRLKV-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 compoundsprimary carboxylic acid amidespyrrolidine-2-onessecondary carboxylic acid amidesthiazinanesthiolactones |
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| Substituents | primary carboxylic acid amidefatty 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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