| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:57 UTC |
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| Update Date | 2025-03-25 00:58:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233176 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H40N6O7 |
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| Molecular Mass | 560.2958 |
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| SMILES | CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(N)CC(=O)O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | YHKKTEJSVCEXKQ-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsaspartic acid and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesisoleucine and derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidespyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidindolefatty amidealpha-amino acid or derivativescarboxylic acid derivativealpha peptideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundisoleucine or derivativesorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespolypeptidealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundpyrroleaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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