| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:41:04 UTC |
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| Update Date | 2025-03-21 17:58:56 UTC |
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| HMDB ID | HMDB0000355 |
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| Metabolite Identification |
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| DeepMet ID | DMID00017699 |
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| Name | 3-Hydroxymethylglutaric acid |
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| Frequency | 236.9 |
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| Structure | |
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| Chemical Formula | C6H10O5 |
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| Molecular Mass | 162.0528 |
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| SMILES | CC(O)(CC(=O)O)CC(=O)O |
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| InChI Key | NPOAOTPXWNWTSH-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 | hydroxy fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesshort-chain hydroxy acids and derivativestertiary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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