| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:24 UTC |
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| Update Date | 2025-03-21 18:32:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091730 |
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| Frequency | 30.6 |
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| Structure | |
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| Chemical Formula | C8H13N5O2S3 |
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| Molecular Mass | 307.0231 |
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| SMILES | NC(N)=Nc1nc(CSSCC(N)C(=O)O)cs1 |
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| InChI Key | AIIXLNYJWPVVQL-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 thiazolesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkyldisulfidesguanidinesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compounddialkyldisulfidemonocarboxylic acid or derivativesorganic oxygen compound2,4-disubstituted 1,3-thiazoleorganic disulfidecysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
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