| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:39:17 UTC |
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| Update Date | 2025-03-21 17:58:20 UTC |
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| HMDB ID | HMDB0304068 |
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| Metabolite Identification |
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| DeepMet ID | DMID00013816 |
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| Name | 2-dehydropantoate |
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| Frequency | 321.8 |
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| Structure | |
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| Chemical Formula | C6H10O4 |
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| Molecular Mass | 146.0579 |
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| SMILES | CC(C)(CO)C(=O)C(=O)O |
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| InChI Key | PKVVTUWHANFMQC-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 | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alcohols and polyolsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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