| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:02 UTC |
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| Update Date | 2025-03-25 00:47:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N5O5 |
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| Molecular Mass | 309.1073 |
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| SMILES | CC(O)C1=Nc2c(ncnc2NC(CC(=O)O)C(=O)O)NC1 |
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| InChI Key | FKTDRQFCQPABLS-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspteridines and derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylamines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidamino acidiminepteridinepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineorganic oxygen compoundaspartic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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