| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:42 UTC |
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| Update Date | 2025-03-21 18:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112050 |
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| Frequency | 48.5 |
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| Structure | |
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| Chemical Formula | C11H21N3O5 |
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| Molecular Mass | 275.1481 |
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| SMILES | CC(C)CC(N=C(O)CN)C(O)=NC(CO)C(=O)O |
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| InChI Key | NNCSJUBVFBDDLC-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 | serine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbeta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundhydroxy acidpropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundprimary alcoholserine or derivativesorganooxygen compound |
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