| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:02 UTC |
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| Update Date | 2025-03-25 00:54:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205909 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13N4O6P |
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| Molecular Mass | 304.0573 |
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| SMILES | NC(=O)c1ncn(C2CC(O)C3OP(=O)(O)OC32)c1N |
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| InChI Key | HUALRDADVQQJCV-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 | carboxylic acid derivatives |
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| Direct Parent | 2-heteroaryl carboxamides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativescyclic alcohols and derivativesdioxaphospholanesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganic phosphoric acids and derivativesorganopnictogen compoundsoxacyclic compoundsprimary aminesprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivatives2-heteroaryl carboxamideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycleheteroaromatic compound1,3_dioxaphospholanecyclic alcoholoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeamineorganooxygen compound |
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