DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:17:47 UTC
Update Date	2025-03-25 00:38:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02104168
Frequency	0.6
Structure
Chemical Formula	C₂₃H₃₆N₈O₂₀P₄
Molecular Mass	868.0996
SMILES	NCCOP(=O)(O)OP(=O)(O)OC1C(O)C(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=CCC(C(N)=O)=C3)C(O)C2O)OC1n1cnc2c(N)ncnc21
InChI Key	OHYWGOTVXDTCPG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles n-substituted nicotinamides nicotinamide nucleotides organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines primary carboxylic acid amides purine ribonucleoside 2',5'-bisphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans vinylogous amides
Substituents	amino acid or derivatives nicotinamide monosaccharide pentose-5-phosphate nicotinamide-nucleotide imidazopyrimidine saccharide purine ribonucleoside diphosphate purine ribonucleoside 2',5'-bisphosphate organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate monoalkyl phosphate hydrocarbon derivative primary aliphatic amine primary amine amine enamine primary carboxylic acid amide carbonyl group pentose phosphate carboxylic acid derivative pyrimidine phosphoethanolamine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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