| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:47 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178051 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N4O5 |
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| Molecular Mass | 270.0964 |
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| SMILES | Cn1c(NC(=O)CC(N)C(=O)O)cc(=O)n(C)c1=O |
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| InChI Key | URGJGKYYOYTSEI-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 | asparagine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundspyrimidonessecondary carboxylic acid amidesureasvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundfatty amidepyrimidonen-arylamidepyrimidineureaorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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