| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:41 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186919 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N4O6 |
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| Molecular Mass | 272.0757 |
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| SMILES | Nc1[nH]c(=O)[nH]c(=O)c1CNC(CC(=O)O)C(=O)O |
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| InChI Key | JSRRJICQHICMBP-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 acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonepyrimidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidesecondary aliphatic aminecarbonic acid derivativeazacycleheteroaromatic compoundsecondary amineorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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