| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:08 UTC |
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| Update Date | 2025-03-21 18:02:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036461 |
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| Frequency | 97.0 |
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| Structure | |
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| Chemical Formula | C10H15N5O3S2 |
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| Molecular Mass | 317.0616 |
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| SMILES | CC(=O)NC(CSCc1csc(N=C(N)N)n1)C(=O)O |
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| InChI Key | IWUMCGZBPBFISS-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 thiazolesacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundacetamideazolesulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolecysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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