| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:45 UTC |
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| Update Date | 2025-03-21 18:01:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030722 |
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| Frequency | 120.8 |
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| Structure | |
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| Chemical Formula | C9H15NO5 |
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| Molecular Mass | 217.095 |
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| SMILES | O=C(O)C(O)CCN1CCCC1C(=O)O |
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| InChI Key | QLGQGDAFPWUTSP-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 | proline and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsalpha amino acidsalpha hydroxy acids and derivativesamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcoholsshort-chain hydroxy acids and derivativestrialkylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidalpha-hydroxy acidmonosaccharidefatty acidsaccharideorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundalpha-amino acidorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesalcohol1,3-aminoalcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminehydroxy acidamino fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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