| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:40:34 UTC |
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| Update Date | 2025-03-24 21:17:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01731661 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C5H9NO3 |
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| Molecular Mass | 131.0582 |
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| SMILES | CN=C(C(=O)O)C(C)O |
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| InChI Key | XQAOASBSPUXBJM-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcoholssecondary ketiminesshort-chain hydroxy acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundketiminecarbonyl groupcarboxylic acidshort-chain hydroxy acidiminefatty acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketiminebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidalcoholorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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