| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:12 UTC |
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| Update Date | 2025-03-21 17:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011300 |
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| Frequency | 431.7 |
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| Structure | |
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| Chemical Formula | C16H19N7O4 |
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| Molecular Mass | 373.1499 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NCC(=O)O)cc1)N2 |
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| InChI Key | RAYVWIKPCDFTFN-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesprimary aminespterins and derivativespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylpyrimidonebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidepterinazacyclehippuric acid or derivativesheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupn-acylglycinesecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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