| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:49 UTC |
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| Update Date | 2025-03-25 00:46:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155415 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N4O5 |
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| Molecular Mass | 282.0964 |
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| SMILES | Cc1ncc(C(=O)NC(CC(=O)O)CC(=O)O)c(N)n1 |
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| InChI Key | GIYYACPZQHLAAX-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 aminespyrimidinecarboxylic acids and derivativessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundpyrimidine-5-carboxylic acid or derivativescarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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