| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:39 UTC |
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| Update Date | 2025-03-21 18:05:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058979 |
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| Frequency | 53.4 |
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| Structure | |
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| Chemical Formula | C12H21N3O5 |
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| Molecular Mass | 287.1481 |
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| SMILES | CC(C)CC(NC(=N)NCCCC(=O)C(=O)O)C(=O)O |
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| InChI Key | MJNODHZJBNDRSS-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 acidsalpha-hydroxy ketonesalpha-keto acids and derivativescarboximidamidescarboxylic acidsdicarboxylic acids and derivativesfatty acylsguanidineshydrocarbon derivativesiminesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundsshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineimineshort-chain keto acidalpha-hydroxy ketoneketoneorganic oxideleucine or derivativesorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundmethyl-branched fatty acidcarboximidamidebranched fatty acidorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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