| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:55 UTC |
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| Update Date | 2025-03-25 00:45:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150947 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N4O5 |
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| Molecular Mass | 312.1434 |
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| SMILES | NCCCCC(N=CC=C1CC(C(=O)O)NC(=O)N1)C(=O)O |
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| InChI Key | OCPSQACUHAOXLK-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 | aldiminesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdiazinanesdicarboxylic acids and derivativesfatty acylsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidones |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidiminepyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compoundaldimine1,3-diazinaneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundcarbonic acid derivativeazacycleorganic 1,3-dipolar compoundamino fatty acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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