| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:46:40 UTC |
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| Update Date | 2025-03-21 18:01:02 UTC |
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| HMDB ID | HMDB0032438 |
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| Metabolite Identification |
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| DeepMet ID | DMID00030521 |
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| Name | 1-Isopropyl citrate |
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| Frequency | 121.8 |
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| Structure | |
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| Chemical Formula | C9H14O7 |
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| Molecular Mass | 234.074 |
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| SMILES | CC(C)OC(=O)CC(O)(CC(=O)O)C(=O)O |
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| InChI Key | SKHXHUZZFVMERR-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 | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidfatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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