| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:21 UTC |
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| Update Date | 2025-03-21 17:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004691 |
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| Frequency | 1223.9 |
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| Structure | |
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| Chemical Formula | C7H14N2O3 |
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| Molecular Mass | 174.1004 |
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| SMILES | CCC(C)C(NC(N)=O)C(=O)O |
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| InChI Key | AXURSAQTBIXUTE-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 | isoleucine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesn-carbamoyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidmethyl-branched fatty acidn-carbamoyl-alpha-amino acidfatty acidbranched fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundn-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundisoleucine or derivativesorganooxygen compound |
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