| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:03 UTC |
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| Update Date | 2025-03-25 00:51:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185442 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10N6O3 |
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| Molecular Mass | 250.0814 |
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| SMILES | Nc1ncnc2c(NCC(O)C(=O)O)ncnc12 |
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| InChI Key | DKEFHPDMAHODKJ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidalpha-hydroxy acidmonosaccharidepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxy acidsecondary aminebeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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