DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:47:13 UTC
Update Date	2025-03-24 20:28:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01458796
Frequency	0.9
Structure
Chemical Formula	C₁₉H₃₀N₇O₂₄P₅
Molecular Mass	895.003
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N3CCC(=O)NC3=O)C(O)C2O)C(O)C1O
InChI Key	MBXNATIEAJUIKR-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 carbonyl compounds carboxylic acids and derivatives diazinanes dicarboximides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl ureas 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
Substituents	carbonyl group pentose phosphate amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine 1,3-diazinane saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dicarboximide imidolactam ureide organoheterocyclic compound azole n-substituted imidazole alcohol n-acyl urea carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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