| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:26 UTC |
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| Update Date | 2025-03-25 00:52:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190840 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H29N3O5 |
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| Molecular Mass | 415.2107 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(CCCCC(N)C(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | ZFQKTQRWVZZCRB-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 | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupamino fatty acidsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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