| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:14 UTC |
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| Update Date | 2025-03-25 00:45:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13N4O7P |
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| Molecular Mass | 308.0522 |
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| SMILES | NC(=O)c1ncn(C2COC(COP(=O)(O)O)O2)c1N |
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| InChI Key | ROXIYMHEEHUILX-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 heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesacetalsamino acids and derivativesazacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminesprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupmeta-dioxolanearomatic heteromonocyclic compoundamino acid or derivatives2-heteroaryl carboxamideorganic oxideacetalimidazoleorganonitrogen compoundorganopnictogen compoundimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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