| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:43 UTC |
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| Update Date | 2025-03-21 17:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003181 |
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| Frequency | 1881.6 |
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| Structure | |
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| Chemical Formula | C11H16N4O7 |
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| Molecular Mass | 316.1019 |
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| SMILES | Nc1c(C(=O)NCC(=O)O)ncn1C1OC(CO)C(O)C1O |
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| InChI Key | ZXQHFAKDWOABGL-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-ribosyl-imidazolecarboxamides2-heteroaryl carboxamidesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminessecondary alcoholssecondary carboxylic acid amidestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl groupimidazole ribonucleosidecarboxylic acidaromatic heteromonocyclic compoundamino acidmonosaccharide2-heteroaryl carboxamidesaccharideorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazole-4-carbonyl groupprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundcarboxamide groupn-acylglycine1-ribosyl-imidazolecarboxamideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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