| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:39 UTC |
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| Update Date | 2025-03-21 17:56:41 UTC |
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| HMDB ID | HMDB0061879 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002990 |
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| Name | (S)-Methylbutanethioic acid |
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| Frequency | 1981.7 |
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| Structure | |
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| Chemical Formula | C5H8O4 |
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| Molecular Mass | 132.0423 |
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| SMILES | COC(=O)CCC(=O)O |
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| InChI Key | JDRMYOQETPMYQX-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 | hydroxy acids and derivatives |
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| Subclass | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid methyl estershydrocarbon derivativesmethyl estersorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidcarboxylic acid derivativefatty acid esterorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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