| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:31 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19N3O3 |
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| Molecular Mass | 265.1426 |
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| SMILES | NC(=O)c1cccc(NCCCCC(N)C(=O)O)c1 |
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| InChI Key | MSYQSHVUYIBQQJ-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 homomonocyclic compounds |
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| Alternative Parents | amino acidsamino fatty acidsbenzamidesbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary carboxylic acid amidessecondary alkylarylamines |
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| Substituents | primary carboxylic acid amidefatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylfatty acidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidbenzoic acid or derivativessecondary aminecarboxamide groupamino fatty acidsecondary aliphatic/aromatic aminearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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