| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:57 UTC |
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| Update Date | 2025-03-25 00:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219742 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H17NO7PS2+ |
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| Molecular Mass | 346.0179 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1CCCS(=O)(=O)O |
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| InChI Key | OFOOQDFQANFTKY-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | thiazoles |
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| Direct Parent | 4,5-disubstituted thiazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesaromatic heteromonocyclic compoundorganosulfonic acidorganosulfur compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazolesulfonylorganic oxygen compoundphosphoric acid esterorganic sulfonic acid or derivativesmonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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