| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:47:20 UTC |
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| Update Date | 2025-03-21 18:01:18 UTC |
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| HMDB ID | HMDB0004437 |
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| Metabolite Identification |
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| DeepMet ID | DMID00032123 |
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| Name | Diethanolamine |
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| Frequency | 114.0 |
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| Structure | |
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| Chemical Formula | C4H11NO2 |
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| Molecular Mass | 105.079 |
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| SMILES | OCCNCCO |
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| InChI Key | ZBCBWPMODOFKDW-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 | amines |
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| Direct Parent | alkanolamines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsdialkylamineshydrocarbon derivativesorganopnictogen compounds |
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| Substituents | alcoholaliphatic acyclic compoundsecondary aliphatic aminesecondary amineorganic oxygen compoundorganopnictogen compoundhydrocarbon derivativeorganooxygen compoundalkanolamine |
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