| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:25:48 UTC |
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| Update Date | 2025-03-21 19:15:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00263834 |
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| Frequency | 7.8 |
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| Structure | |
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| Chemical Formula | C3H5NO2 |
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| Molecular Mass | 87.032 |
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| SMILES | O=C=NCCO |
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| InChI Key | LCANECIWPMDASZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | isocyanates |
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| Direct Parent | isocyanates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalkanolamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholaliphatic acyclic compoundisocyanateorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganooxygen compoundalkanolamine |
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