| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:06 UTC |
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| Update Date | 2025-03-25 00:56:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217768 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9NO4 |
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| Molecular Mass | 171.0532 |
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| SMILES | O=C(O)CC(=NC1CC1)C(=O)O |
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| InChI Key | NUYMCCNIHCCGRA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | carbocyclic fatty acidketiminecarbonyl groupcarboxylic acidimineorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganic oxygen compoundorganonitrogen compoundaliphatic homomonocyclic compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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