| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:25 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183988 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H29N3O5S |
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| Molecular Mass | 399.1828 |
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| SMILES | NC(CCCCNC(=O)CCCCC1SCC2CC=C(C(=O)O)N21)C(=O)O |
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| InChI Key | DPDOOCFENUSJOB-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 acidsdialkylthioethersdicarboxylic acids and derivativesenaminesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrroline 2-carboxylic acidssecondary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amidealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycledialkylthioetherpyrroline carboxylic acid or derivativescarboxamide groupn-acyl-aminepyrroline 2-carboxylic acidsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroline carboxylic acidthioetherdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundenaminethiazolidine |
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