| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:11 UTC |
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| Update Date | 2025-03-25 00:57:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H25N3O4 |
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| Molecular Mass | 287.1845 |
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| SMILES | CC(C)CC(NC(=N)NCCCC(C)C(=O)O)C(=O)O |
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| InChI Key | JUPSCUYBKNCFSG-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 acidscarbonyl compoundscarboximidamidescarboxylic acidsdelta amino acids and derivativesdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmethyl-branched fatty acidsorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidguanidineiminefatty acidcarboximidamidebranched fatty acidorganic oxideorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compounddelta amino acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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