| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:58 UTC |
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| Update Date | 2025-03-25 00:59:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N6O3 |
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| Molecular Mass | 238.0814 |
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| SMILES | Nc1nc(NCCC(=O)O)nc2[nH]c(=O)[nH]c12 |
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| InChI Key | CXBXLSIMDZSORW-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespurinonespyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidimidazopyrimidinepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazolecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminebeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativepurineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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