| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:41 UTC |
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| Update Date | 2025-03-25 00:47:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N3O4 |
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| Molecular Mass | 283.1532 |
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| SMILES | NCCCCC(N=CC=C1CNC(C(=O)O)C1)C(=O)O |
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| InChI Key | OUAPINYVWRWYQN-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 | aldiminesalpha amino acidsamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acylsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidepyrrolidine carboxylic acidaliphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidpyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary amineamino fatty acidpyrrolidine carboxylic acid or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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