| 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 | DMID02166419 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N4O3S4 |
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| Molecular Mass | 394.0262 |
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| SMILES | CC(=O)Nc1nc(CSCCNC(=S)SCC(N)C(=O)O)cs1 |
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| InChI Key | XNJNUKOYJIMKPL-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 | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted thiazolesacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdithiocarbamic acid estersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundn-arylamideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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