| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:18 UTC |
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| Update Date | 2025-03-21 18:38:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120686 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O5 |
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| Molecular Mass | 269.076 |
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| SMILES | Nc1ncnc(N)c1C(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | VHGNMNZXIAHQHF-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrimidinecarboxylic acids and derivativessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesvinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativescarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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