| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:35 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161487 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O4S |
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| Molecular Mass | 315.1253 |
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| SMILES | NCc1ccc(CSCCNC(=O)CCC(N)C(=O)O)o1 |
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| InChI Key | SXOUJUJHZLDKQY-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundcarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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