| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 04:09:05 UTC |
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| Update Date | 2025-03-21 23:09:05 UTC |
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| HMDB ID | HMDB0243950 |
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| Metabolite Identification |
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| DeepMet ID | DMID00648834 |
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| Name | 1-Mononitroglycerin |
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| Frequency | 2.4 |
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| Structure | |
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| Chemical Formula | C3H7NO5 |
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| Molecular Mass | 137.0324 |
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| SMILES | O=[N+]([O-])OCC(O)CO |
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| InChI Key | HXWLJBVVXXBZCM-UHFFFAOYSA-N |
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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 | organic nitric acids and derivatives |
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| Subclass | nitrate esters |
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| Direct Parent | nitrate esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl nitrateshydrocarbon derivativesorganic nitro compoundsorganic nitrogen compoundsorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundorganic nitratenitrate esterallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundorganic oxideorganic oxygen compoundalkyl nitratesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundprimary alcoholorganooxygen compoundorganic hyponitrite1,2-diol |
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