| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:13 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194809 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N2OS |
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| Molecular Mass | 226.114 |
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| SMILES | CCN(CC)CC(=O)Nc1ccc(C)s1 |
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| InChI Key | BWEUEAWWBIPGGN-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 | 2,5-disubstituted thiophenesalpha amino acidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundn-arylamidethiopheneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compound2,5-disubstituted thiophenealpha-amino acid amideheteroaromatic compoundtertiary aliphatic aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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