| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:36:52 UTC |
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| Update Date | 2025-03-21 17:57:29 UTC |
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| HMDB ID | HMDB0002092 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008134 |
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| Name | Itaconic acid |
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| Frequency | 607.0 |
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| Structure | |
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| Chemical Formula | C5H6O4 |
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| Molecular Mass | 130.0266 |
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| SMILES | C=C(CC(=O)O)C(=O)O |
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| InChI Key | LVHBHZANLOWSRM-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 | branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidunsaturated fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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