| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:02 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO6 |
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| Molecular Mass | 231.0743 |
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| SMILES | CC(O)C(O)C1CC(C(=O)O)=C(C(=O)O)N1 |
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| InChI Key | ZPRNTYDCMYBBCV-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 | 1,2-diolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspyrroline 2-carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidesecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativessecondary aminepyrroline 2-carboxylic acidorganic oxygen compoundpyrrolinepyrroline carboxylic acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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