| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:40 UTC |
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| Update Date | 2025-03-21 18:07:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068538 |
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| Frequency | 44.2 |
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| Structure | |
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| Chemical Formula | C12H23N3O5 |
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| Molecular Mass | 289.1638 |
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| SMILES | CC(C)CC(NC(=N)NCCCC(O)C(=O)O)C(=O)O |
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| InChI Key | XAPVEGZUALSLHA-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 acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidsdelta amino acids and derivativesdicarboxylic acids and derivativesguanidineshydrocarbon derivativeshydroxy fatty acidsiminesmethyl-branched fatty acidsmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidguanidineiminealpha-hydroxy acidmonosaccharidefatty acidsaccharideorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativeshydroxy fatty acidalcoholmethyl-branched fatty acidcarboximidamidehydroxy acidbranched fatty acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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