DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:48:59 UTC
Update Date	2025-03-21 18:02:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036113
Frequency	98.2
Structure
Chemical Formula	C₁₉H₂₅N₇O₁₅P₂
Molecular Mass	653.0884
SMILES	Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1O
InChI Key	IGOGVQLDQFGNIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidones ribonucleoside 3'-phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate oxacycle pyrimidine ribonucleoside diphosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID00036113