| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:21 UTC |
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| Update Date | 2025-03-25 00:57:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H25N5O6S2 |
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| Molecular Mass | 483.1246 |
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| SMILES | NC(CSSCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)O)C(=O)NCC(=O)O |
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| InChI Key | RKCMFRAFGBQHGH-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativesdipeptidesfatty amidesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amideorganosulfur compoundalpha peptideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundalpha-amino acid amideazacycleheteroaromatic compoundindole or derivativescarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativespyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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