| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218077 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25N5O3 |
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| Molecular Mass | 335.1957 |
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| SMILES | N=C(N)NCCC(=O)c1ccc(NCCCCC(N)C(=O)O)cc1 |
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| InChI Key | LMKKEQJHKNMFND-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsaryl alkyl ketonesbenzoyl derivativescarbocyclic fatty acidscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylamines |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidguanidineiminebenzoylfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidcarboximidamidesecondary amineamino fatty acidsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundaminealkyl-phenylketone |
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