| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:57 UTC |
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| Update Date | 2025-03-21 18:29:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076414 |
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| Frequency | 38.5 |
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| Structure | |
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| Chemical Formula | C6H10NO7PS |
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| Molecular Mass | 270.9916 |
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| SMILES | O=P(O)(O)OCC1OC(N=C=S)C(O)C1O |
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| InChI Key | RHVNLITWBLBDRX-UHFFFAOYSA-N |
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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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolshydrocarbon derivativesisothiocyanatesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | isothiocyanatepentose phosphatepentose-5-phosphateorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranorganic 1,3-dipolar compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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