| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:15 UTC |
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| Update Date | 2025-03-25 00:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206379 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H27N3O5S |
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| Molecular Mass | 397.1671 |
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| SMILES | NC(CCCCNC(=O)CCCCC1Nc2ccccc2S1(=O)=O)C(=O)O |
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| InChI Key | JHLODGUPHFZMSN-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 | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidsbenzothiazolescarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganopnictogen compoundssecondary alkylarylaminessecondary carboxylic acid amidessulfonesthiazoles |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty amidefatty acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidbenzo-thiazoleorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compound1,3-benzothiazoleazacyclesecondary aminecarboxamide groupn-acyl-aminesecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compoundaminesulfone |
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