| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:02 UTC |
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| Update Date | 2025-03-21 18:32:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093284 |
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| Frequency | 29.9 |
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| Structure | |
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| Chemical Formula | C6H11NO4 |
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| Molecular Mass | 161.0688 |
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| SMILES | C[N+](C)([O-])CC(=O)CC(=O)O |
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| InChI Key | BQCCHQWGDSNOJH-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 | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganopnictogen compoundstrialkyl amine oxidestrisubstituted amine oxides and derivatives |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidn-oxidetrialkyl amine oxideshort-chain keto acidcarboxylic acid derivativebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundtrisubstituted n-oxideaminoxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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