| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:16 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172199 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N5O2 |
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| Molecular Mass | 209.0913 |
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| SMILES | CN1c2c(N)ncnc2NCC1C(=O)O |
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| InChI Key | DROCEXBYIRWNAZ-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 heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylamineimidolactamtertiary amineorganoheterocyclic compoundazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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