| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:50 UTC |
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| Update Date | 2025-03-25 00:48:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166687 |
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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 | CC(=O)Nc1c(NC(CO)C(=O)O)[nH]c(=O)[nH]c1=O |
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| InChI Key | LLKYFNSZZDYMSX-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 | serine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acetylarylaminesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary alcoholspyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundamino acidpyrimidonen-arylamidepyrimidinebeta-hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundacetamidealcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundhydroxy acidsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundserine or derivativesorganooxygen compoundamine |
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