| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:02 UTC |
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| Update Date | 2025-03-25 00:45:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151205 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N3O6PS+ |
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| Molecular Mass | 416.104 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)cc1CC(N)C(=O)O |
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| InChI Key | CUVOVCNNPHPFTD-UHFFFAOYSA-O |
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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 | 2-halopyridines4,5-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativespyridineorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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