| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:52:59 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | HMDB0030331 |
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| Metabolite Identification |
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| DeepMet ID | DMID00045722 |
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| Name | xi-2-Ethylheptanoic acid |
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| Frequency | 73.5 |
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| Structure | |
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| Chemical Formula | C9H18O2 |
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| Molecular Mass | 158.1307 |
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| SMILES | CCCCCC(CC)C(=O)O |
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| InChI Key | DYWSVUBJGFTOQC-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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