| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:43:02 UTC |
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| Update Date | 2025-03-21 17:59:36 UTC |
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| HMDB ID | HMDB0245951 |
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| Metabolite Identification |
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| DeepMet ID | DMID00022110 |
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| Name | 3-Nitropropanol |
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| Frequency | 179.8 |
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| Structure | |
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| Chemical Formula | C3H7NO3 |
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| Molecular Mass | 105.0426 |
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| SMILES | O=[N+]([O-])CCCO |
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| InChI Key | YISPKQZWSIMXMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | c-nitro compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholaliphatic acyclic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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