| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:06 UTC |
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| Update Date | 2025-03-21 18:03:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043585 |
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| Frequency | 77.9 |
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| Structure | |
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| Chemical Formula | C12H25N3O6 |
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| Molecular Mass | 307.1743 |
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| SMILES | NC(=O)C(N)CCCCNCC1(O)OC(CO)C(O)C1O |
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| InChI Key | VGIYWPXTKVSRPH-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acids and derivativesdialkylaminesfatty amideshemiacetalshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary carboxylic acid amidessecondary alcoholstetrahydrofurans |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupfatty amidemonosaccharidesaccharideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetalprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuransecondary aminecarboxamide groupoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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