| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:18 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 | DMID02188305 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19N7O4S3 |
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| Molecular Mass | 409.0661 |
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| SMILES | CC(NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1)C(=O)O |
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| InChI Key | BPMWEWAIGGYLOI-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,4-disubstituted thiazolesalpha amino acidsamidinesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersguanidinesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic sulfuric acids and derivativesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundguanidineamidineorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleorganic sulfuric acid or derivativessulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioether2,4-disubstituted 1,3-thiazolealanine or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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