| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:44:03 UTC |
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| Update Date | 2025-03-21 17:59:58 UTC |
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| HMDB ID | HMDB0250545 |
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| Metabolite Identification |
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| DeepMet ID | DMID00024394 |
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| Name | Crotonic acid betaine |
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| Frequency | 159.9 |
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| Structure | |
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| Chemical Formula | C7H14NO2+ |
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| Molecular Mass | 144.1019 |
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| SMILES | C[N+](C)(C)CC=CC(=O)O |
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| InChI Key | GUYHPGUANSLONG-UHFFFAOYSA-O |
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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 | straight chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | aminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium saltsunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidtetraalkylammonium saltquaternary ammonium saltcarboxylic acid derivativeunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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