| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 12:49:28 UTC |
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| Update Date | 2025-03-24 21:47:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01894618 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H11NO2 |
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| Molecular Mass | 141.079 |
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| SMILES | CNC1=C(C)C(C)OC1=O |
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| InChI Key | WKAOMNCZQRLHHF-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | butenolidescarbonyl compoundsdialkylaminesdihydrofuransenoate estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | carbonyl grouplactonealpha,beta-unsaturated carboxylic ester2-furanoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compounddihydrofuranenoate estersecondary aliphatic aminesecondary amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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