Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:15:22 UTC |
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Update Date | 2025-03-21 18:34:03 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00098967 |
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Frequency | 27.8 |
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Structure | |
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Chemical Formula | C29H39N7O8 |
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Molecular Mass | 613.286 |
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SMILES | CC(C)C(NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O |
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InChI Key | GJTFCYGYUVNQNP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic polymers |
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Class | polypeptides |
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Subclass | polypeptides |
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Direct Parent | polypeptides |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | alpha amino acid amidesalpha amino acidsamphetamines and derivativesaspartic acid and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidesphenylalanine and derivativesphenylpropanoic acidsproline and derivativespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amidesvaline and derivatives |
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Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidfatty amiden-acylpyrrolidinealpha-amino acid or derivativescarboxylic acid derivativealpha peptideorganic oxideimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesazolen-acyl-alpha amino acid or derivativesproline or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidvaline or derivativesheteroaromatic compoundcarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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