| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:43 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166418 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18N4O3S |
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| Molecular Mass | 286.11 |
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| SMILES | CC(=O)Nc1nc(CSCCC(N)C(=O)O)cn1C |
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| InChI Key | CXZPJOHYRSJKEZ-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2,4-trisubstituted imidazolesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesn-substituted imidazolesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundn-arylamideorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolen-substituted imidazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide group1,2,4-trisubstituted-imidazolesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethertrisubstituted imidazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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