| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:23:59 UTC |
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| Update Date | 2025-03-24 20:18:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01404388 |
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| Frequency | 0.9 |
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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 | CNCC1OC(=O)C1O |
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| InChI Key | BJACQUQHTZMKDT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | beta propiolactones |
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| Direct Parent | beta propiolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativescarbonyl compoundscarboxylic acid estersdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxetanessecondary alcohols |
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| Substituents | alcoholsecondary aliphatic aminecarbonyl groupamino acid or derivativessecondary aminecarboxylic acid derivativebeta_propiolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanealiphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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