DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:58 UTC
Update Date	2025-03-25 00:51:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185231
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₈N₅O₁₁P₂+
Molecular Mass	446.0473
SMILES	NC(=O)c1c[n+](C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(N)nc1N
InChI Key	LPXUDIJRIPAYIY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides organic cations organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides pyrimidinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound 1,2-diol alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group organic pyrophosphate oxacycle pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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