| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:54 UTC |
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| Update Date | 2025-03-21 18:37:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114958 |
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| Frequency | 33.0 |
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| Structure | |
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| Chemical Formula | C15H22N4O3 |
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| Molecular Mass | 306.1692 |
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| SMILES | N=C(N)NCCCC(NC(=O)CCc1ccccc1)C(=O)O |
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| InChI Key | JOBOHKGJZQOBLW-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 | arginine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsfatty amidesguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminefatty amideorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboximidamidecarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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