| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:45 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177976 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N4O5 |
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| Molecular Mass | 256.0808 |
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| SMILES | Cn1c(NCC(=O)O)c(NC=O)c(=O)n(C)c1=O |
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| InChI Key | VKRLPCTUBCUSHV-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundspyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesureasvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundamino acidpyrimidonen-arylamidepyrimidineureaorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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