| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:29 UTC |
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| Update Date | 2025-03-25 00:50:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184136 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N4O5 |
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| Molecular Mass | 338.159 |
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| SMILES | NC(CCCCNc1ccc(C(=O)CC(N)C(=O)O)cn1)C(=O)O |
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| InChI Key | JVMNKDVUQDERTR-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsamino fatty acidsaryl alkyl ketonesazacyclic compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesimidolactamsmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundamino acidheterocyclic fatty acidpolyhalopyridineketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinesecondary amineamino fatty acidsecondary aliphatic/aromatic aminegamma-keto acidpyridineorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaminearyl ketonemedium-chain keto acid |
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