| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:01:37 UTC |
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| Update Date | 2025-03-25 00:32:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02065733 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | CHClNO3- |
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| Molecular Mass | 109.965 |
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| SMILES | O=[N+]([O-])C([O-])Cl |
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| InChI Key | TZDCQINBPXEOKR-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 | alkoxidesalkyl chlorideshydrocarbon derivativesorganic anionsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aliphatic acyclic compoundalkyl chlorideorganochlorideorganohalogen compoundorganic oxideorganic anionorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumalkoxideorganooxygen compoundorganic hyponitrite |
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