| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:17 UTC |
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| Update Date | 2025-03-25 00:51:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188289 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9N3O3S |
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| Molecular Mass | 215.0365 |
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| SMILES | CC(NC(=O)c1csc(N)n1)C(=O)O |
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| InChI Key | PXLPGVZAMHCXCN-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted thiazoles2-heteroaryl carboxamidesalanine and derivativesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidesthiazolecarboxamides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidthiazolecarboxylic acid or derivatives2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compound2,4-disubstituted 1,3-thiazolealanine or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundthiazolecarboxamidethiazoleamineorganooxygen compound |
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