| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:54 UTC |
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| Update Date | 2025-03-25 00:54:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207881 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H25N3O3 |
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| Molecular Mass | 259.1896 |
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| SMILES | CC(C)CC(NC(=O)NCCCN(C)C)C(=O)O |
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| InChI Key | GSRVUCHFVFXPBG-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 | amino acids, peptides, and analogues |
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| Direct Parent | leucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganic oxiden-carbamoyl-alpha-amino acid or derivativesleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminecarbonic acid derivativemethyl-branched fatty acidn-carbamoyl-alpha-amino acidtertiary aliphatic aminebranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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