| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:59 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224411 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N4O2S |
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| Molecular Mass | 226.0524 |
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| SMILES | O=C(O)C1=NCC(Cc2c[nH]c(=S)[nH]2)N1 |
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| InChI Key | KNFBHOMUUHJKLA-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 | amidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthioureas |
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| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundimidazole-2-thioneamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compound2-imidazolineimidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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