| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:24 UTC |
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| Update Date | 2025-03-21 18:31:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087019 |
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| Frequency | 32.7 |
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| Structure | |
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| Chemical Formula | C8H14NO9P2S+ |
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| Molecular Mass | 361.9859 |
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| SMILES | Cc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1CC(=O)O |
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| InChI Key | TXNHAZXAYDJXJV-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesalpha amino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic pyrophosphate4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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