| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:37 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175320 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N3O5S |
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| Molecular Mass | 371.1515 |
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| SMILES | CCCCC=CC=CC(=O)C(CSN=O)NC(=O)CCC(N)C(=O)O |
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| InChI Key | BJVBLDOCMKBVMA-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 | glutamine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha amino acidscarboxylic acidsenoneshydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidealpha,beta-unsaturated ketoneorganosulfur compoundnitrosothiolketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic s-nitroso compoundenoneorganic nitroso compoundsulfenyl compoundcarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
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