| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:30 UTC |
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| Update Date | 2025-03-25 00:47:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159107 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O4 |
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| Molecular Mass | 174.0892 |
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| SMILES | C=C(C)C(=O)CC(O)C(O)CO |
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| InChI Key | UIQGDFNSJUECIA-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 alcohols |
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| Direct Parent | fatty alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesbeta-hydroxy ketonesenoneshydrocarbon derivativesorganic oxidesprimary alcoholssecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | alcoholalpha-branched alpha,beta-unsaturated-ketonebeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketoneketoneorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativeacryloyl-groupprimary alcoholorganooxygen compoundenone |
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