| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:34 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161427 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H25N3O12P2 |
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| Molecular Mass | 489.0913 |
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| SMILES | NCCOP(=O)(O)OP(=O)(O)OCC1OC(N2C=CCC(C(N)=O)=C2)C(O)C(O)C1O |
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| InChI Key | SKXIKDIMEWIANX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | hexose phosphates |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesmonoalkylaminesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphosphoethanolaminesprimary carboxylic acid amidessecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupnicotinamidecarboxylic acid derivativephosphoethanolamineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineoxaneorganoheterocyclic compoundalcoholvinylogous amideazacyclecarboxamide grouporganic pyrophosphaten-substituted nicotinamideoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhexose phosphatehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateenamine |
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