| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:29 UTC |
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| Update Date | 2025-03-21 18:29:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075273 |
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| Frequency | 39.3 |
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| Structure | |
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| Chemical Formula | C11H20NO11P2S+ |
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| Molecular Mass | 436.0227 |
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| SMILES | Cc1c(CCOP(=O)(O)O)sc[n+]1C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | FLLJRRJMLHQWIL-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 | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | pentose phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundazole1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compound4,5-disubstituted 1,3-thiazoleoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundthiazoleorganic phosphoric acid derivativealkyl phosphate |
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