| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:59 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155796 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H17N2O3+ |
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| Molecular Mass | 189.1234 |
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| SMILES | C[N+](=O)CCCCC(C)(N)C(=O)O |
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| InChI Key | YCMFJSSIJXQQKI-UHFFFAOYSA-O |
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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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidsaminoxidescarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic oxoazanium compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganic oxoazaniummethyl-branched fatty acidamino fatty acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundaminoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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