DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:43 UTC
Update Date	2025-03-25 00:47:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161764
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁N₄O₉P
Molecular Mass	408.1046
SMILES	NCCCC(=O)Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1
InChI Key	NWFOMUAIUBBQOO-UHFFFAOYSA-N
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 azacyclic compounds carbonyl compounds carboxylic acids and derivatives fatty amides gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-arylamides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group aromatic heteromonocyclic compound pentose phosphate gamma amino acid or derivatives fatty amide monosaccharide pentose-5-phosphate pyrimidone n-arylamide carboxylic acid derivative pyrimidine saccharide organic oxide organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound 1,2-diol alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide pyrimidine ribonucleoside monophosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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