| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:38 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182257 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11N3O2 |
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| Molecular Mass | 205.0851 |
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| SMILES | O=C(O)C1CC=NC(c2cccnc2)N1 |
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| InChI Key | SBWDCDVQVKFLNK-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 acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydropyrimidineshydroxypyridinesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidiminepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidhydropyrimidineorganopnictogen compound1,2,5,6-tetrahydropyrimidineorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundhydroxypyridineorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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