| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:32 UTC |
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| Update Date | 2025-03-25 01:00:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243672 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22N3O8P |
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| Molecular Mass | 391.1145 |
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| SMILES | CC(=O)NC1C(COP(=O)(O)O)C(O)C(O)C1N1C=CCC(C(N)=O)=C1 |
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| InChI Key | RYXXRLUVNFAGQU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | n-substituted nicotinamides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1,2-diolsacetamidesamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativescyclic alcohols and derivativescyclopentanolsdihydropyridinesenamineshydrocarbon derivativesmonoalkyl phosphatesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupamino acid or derivativescarboxylic acid derivativeorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridinetertiary amineacetamide1,2-diolalcoholvinylogous amideazacycle1,2-aminoalcoholtertiary aliphatic aminecyclic alcoholcarboxamide groupcyclopentanoln-substituted nicotinamidesecondary carboxylic acid amideorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compoundenamine |
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