DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:11:27 UTC
Update Date	2025-03-24 22:34:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01231413
Frequency	1.1
Structure
Chemical Formula	C₂₀H₃₀N₇O₂₃P₅
Molecular Mass	891.0081
SMILES	NC(=O)c1ccn(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)c1
InChI Key	RHZKTOFOXZSOPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines primary carboxylic acid amides purines and purine derivatives pyrimidines and pyrimidine derivatives pyrrole carboxamides secondary alcohols substituted pyrroles tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide pyrrole-3-carboxylic acid or derivatives pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate substituted pyrrole imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound pyrrole-3-carboxamide organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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