DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:05 UTC
Update Date	2025-03-25 00:51:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185518
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₄O₁₂P+
Molecular Mass	467.081
SMILES	Nc1nc[n+](C2OC(COP(=O)(O)O)C(O)C2O)cc1C(=O)NC(CC(=O)O)C(=O)O
InChI Key	IOLGZLRANKYSOE-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monosaccharides n-acyl-alpha amino acids organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines pyrimidinecarboxylic acids and derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound pentose phosphate amino acid or derivatives amino acid monosaccharide pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation imidolactam organoheterocyclic compound 1,2-diol n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside monophosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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