| 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 | DMID02166420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N3O3S2 |
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| Molecular Mass | 289.0555 |
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| SMILES | CC(=O)Nc1nc(CSCCNCC(=O)O)cs1 |
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| InChI Key | XJHDFLGUNLOUJX-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 | 2,4-disubstituted thiazolesacetamidesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundamino acidn-arylamideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolesecondary aliphatic aminesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolehydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compoundamine |
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