| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:02 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162513 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO5 |
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| Molecular Mass | 215.0794 |
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| SMILES | O=C(O)C=CCCC(O)=NCCC(=O)O |
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| InChI Key | XEPYULFNPKJGOM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarbonyl compoundscarboximidic acidscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidfatty acidorganic 1,3-dipolar compoundcarboxylic acid derivativeamino fatty acidmedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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