| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:07 UTC |
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| Update Date | 2025-03-25 00:57:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226876 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20N2O3 |
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| Molecular Mass | 240.1474 |
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| SMILES | CC(C)CC1N=CC(CCCC(=O)O)N=C1O |
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| InChI Key | WDYPTLIUSXPQFG-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 | heterocyclic fatty acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbranched fatty acidscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain hydroxy acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidshort-chain hydroxy acidazacycleheterocyclic fatty acidimineorganic 1,3-dipolar compoundcarboxylic acid derivativebranched fatty acidpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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