DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:41 UTC
Update Date	2025-03-21 18:38:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00119279
Frequency	21.9
Structure
Chemical Formula	C₁₈H₂₄N₇O₁₈P₃
Molecular Mass	719.0391
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC1O
InChI Key	AZNFBKVGCXOEHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 1,3-dioxolanes acetals azacyclic compounds hemiacetals heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	meta-dioxolane pyrimidine ribonucleoside triphosphate lactam pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound hemiacetal imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle 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

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