| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:08 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H31N5O7 |
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| Molecular Mass | 405.2223 |
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| SMILES | CC(C)CC(NC(=NCCCC(N)C(=O)O)NOCCC(N)C(=O)O)C(=O)O |
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| InChI Key | VVLKTSPSOJFLNX-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 acidsguanidineshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidguanidinetricarboxylic acid or derivativesorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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