| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:18 UTC |
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| Update Date | 2025-03-25 00:57:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227255 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N3O5 |
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| Molecular Mass | 255.0855 |
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| SMILES | CC(C)c1[nH]c(=O)[nH]c(=O)c1C(O)=NCC(=O)O |
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| InChI Key | NCLRMAFFSNWDBU-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 | azacyclic compoundscarbonyl compoundscarboximidic acidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidonesvinylogous amides |
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| Substituents | carboximidic acidcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonepyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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