| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:57 UTC |
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| Update Date | 2025-03-21 18:41:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133951 |
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| Frequency | 18.8 |
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| Structure | |
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| Chemical Formula | C11H17NO4 |
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| Molecular Mass | 227.1158 |
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| SMILES | C=CCCCC=CC(O)=NCC(O)C(=O)O |
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| InChI Key | RHUBWSCEZFLYNF-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 | hydroxy acids and derivatives |
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| Subclass | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboximidic acidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholaliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidalpha-hydroxy acidorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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