| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:50 UTC |
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| Update Date | 2025-03-25 00:48:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168915 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19N3O3 |
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| Molecular Mass | 253.1426 |
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| SMILES | CC(C)CC(CCc1c[nH]cn1)=NC(O)C(=O)O |
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| InChI Key | ZMZIGLNNMKGAFM-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkanolaminesalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundiminealpha-hydroxy acidpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalkanolamineazoleazacycleheteroaromatic compoundorganic 1,3-dipolar compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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