| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:22 UTC |
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| Update Date | 2025-03-25 01:00:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240938 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H22N2O6 |
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| Molecular Mass | 278.1478 |
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| SMILES | CC(C)(CO)C(O)C(O)NCCC(O)=NCC(=O)O |
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| InChI Key | YJLHFWJFYCTHTG-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 acyclic compounds |
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| Alternative Parents | amino acidscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylamineshemiaminalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidamino acidhemiaminalpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalkanolaminealcoholsecondary aliphatic amineorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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