| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:47 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198454 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O4 |
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| Molecular Mass | 214.0954 |
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| SMILES | CC(C)CC(N=C=NCC(=O)O)C(=O)O |
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| InChI Key | YVXYAZKYVLLRAZ-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 acidscarbodiimidescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidfatty acidorganic 1,3-dipolar compoundbranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundleucine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativecarbodiimideorganic nitrogen compoundorganooxygen compound |
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