| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:42 UTC |
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| Update Date | 2025-03-25 00:52:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H30N4O2S |
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| Molecular Mass | 342.2089 |
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| SMILES | CN(C)Cc1ccc(CSCCNC(=O)C(N)CCCCN)o1 |
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| InChI Key | NRWFBHJEWONFEF-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 acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaralkylaminescarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesn-acyl aminesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
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| Substituents | fatty acylfurancarbonyl grouparomatic heteromonocyclic compoundfatty amideorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundsulfenyl compoundalpha-amino acid amidedialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupn-acyl-amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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