| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:37:37 UTC |
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| Update Date | 2025-03-24 14:30:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00861081 |
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| Frequency | 1.7 |
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| Structure | |
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| Chemical Formula | CH2ClNO3 |
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| Molecular Mass | 110.9723 |
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| SMILES | O=[N+]([O-])C(O)Cl |
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| InChI Key | XKVQBEGTTWIFSG-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 | alkanolaminesalkyl chlorideshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundalkyl chlorideorganochlorideorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitritealkanolamine |
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