| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:38 UTC |
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| Update Date | 2025-03-21 18:03:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044897 |
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| Frequency | 75.2 |
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| Structure | |
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| Chemical Formula | C9H10N4O5 |
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| Molecular Mass | 254.0651 |
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| SMILES | Nc1nccnc1C(=O)NC(CC(=O)O)C(=O)O |
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| InChI Key | OVDYNNSRXUBNGE-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 | 2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsprimary aminespyrazinecarboxamidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundn-acyl-alpha amino acid or derivativespyrazinecarboxamidevinylogous amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrazineaspartic acid or derivativesdicarboxylic acid or derivativespyrazine carboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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