| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:52 UTC |
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| Update Date | 2025-03-21 18:40:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129107 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C21H26N6O7 |
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| Molecular Mass | 474.1863 |
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| SMILES | Cn1c2c(c(=O)n(C)c1=O)NCC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)N2 |
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| InChI Key | WKKLKFLGTOVXJZ-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativeslactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesureasvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl grouplactamcarboxylic acidamino acidbenzoylpyrimidonebenzamidepyrimidineureaorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amidecarbonic acid derivativeazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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