| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:02 UTC |
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| Update Date | 2025-03-21 18:07:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067002 |
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| Frequency | 45.5 |
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| Structure | |
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| Chemical Formula | C15H25N3O4S |
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| Molecular Mass | 343.1566 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=O)CCC(N)C(=O)O)o1 |
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| InChI Key | DEMDGQMCOLHQSQ-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 acidsamino acidsaralkylaminescarbonyl compoundscarboxylic acidsdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | fatty acylfurancarbonyl groupcarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundamino acidfatty amideorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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