DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:41:37 UTC
Update Date	2025-03-24 20:51:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01590027
Frequency	0.8
Structure
Chemical Formula	C₂₀H₃₀N₈O₂₃P₅+
Molecular Mass	905.0106
SMILES	NC(=O)c1cc[n+](C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)cn1
InChI Key	FZXKDMSCTDIGFY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleotides
Subclass	pyrimidine ribonucleotides
Direct Parent	pyrimidine ribonucleoside polyphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic cations organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purine ribonucleoside monophosphates purines and purine derivatives pyrimidinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans
Substituents	primary carboxylic acid amide pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate pyrimidine ribonucleoside polyphosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organic cation imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound pyrimidine-6-carboxylic acid or derivatives organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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