| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:53 UTC |
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| Update Date | 2025-03-21 18:07:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066666 |
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| Frequency | 45.7 |
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| Structure | |
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| Chemical Formula | C13H26N4O4 |
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| Molecular Mass | 302.1954 |
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| SMILES | CC(C)CC(NC(=N)NCCCCC(N)C(=O)O)C(=O)O |
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| InChI Key | TVKZXPKIHAPRCL-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 fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesguanidineshydrocarbon derivativesiminesmedium-chain fatty acidsmethyl-branched fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidineiminefatty acidorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidmethyl-branched fatty acidcarboximidamideamino fatty acidbranched fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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