| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:50 UTC |
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| Update Date | 2025-03-25 00:53:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198570 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N4O3 |
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| Molecular Mass | 318.1692 |
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| SMILES | Cc1c(CCC(N)=O)c[nH]c1CC1NC(=O)C2CCCN2C1=O |
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| InChI Key | YUYOVKSQFWKPGV-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 heteropolycyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespyrrolespyrrolidinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouplactamfatty amide2,5-dioxopiperazineorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazacyclen-alkylpiperazineheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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