| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:12:15 UTC |
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| Update Date | 2025-03-24 20:39:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01519516 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H11NO3 |
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| Molecular Mass | 145.0739 |
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| SMILES | CNCC(O)C=CC(=O)O |
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| InChI Key | URDXERIJQDGWMG-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 | hydroxy 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 compoundssecondary alcoholsshort-chain hydroxy acids and derivativesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acid or derivativesamino acidcarboxylic acid derivativeunsaturated fatty acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholsecondary aliphatic aminesecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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