| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:18 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160848 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N5O4 |
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| Molecular Mass | 255.0968 |
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| SMILES | Nc1ncnc(N)c1NCC(CC(=O)O)C(=O)O |
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| InChI Key | OAJCKQIETMQGRL-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminebeta amino acid or derivativessecondary aliphatic/aromatic amineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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