| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:37 UTC |
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| Update Date | 2025-03-21 18:34:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099527 |
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| Frequency | 27.6 |
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| Structure | |
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| Chemical Formula | C5H9NO2 |
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| Molecular Mass | 115.0633 |
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| SMILES | CNCC=CC(=O)O |
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| InChI Key | NWVCFCJOJVDBHH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | straight chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic aminecarbonyl groupstraight chain fatty acidcarboxylic acidamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativeunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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