DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:02:23 UTC
Update Date	2025-03-24 21:00:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01639413
Frequency	0.8
Structure
Chemical Formula	C₂₇H₄₀N₁₀O₂₁P₄
Molecular Mass	964.132
SMILES	CC(C)(CO[PH](O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O)C(=O)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChI Key	DNAUJYAXFNEBDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	5'-acylphosphoadenosines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acyl phosphates alpha-keto acids and derivatives amino acids and derivatives azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams ketones monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives monosaccharide pentose-5-phosphate imidazopyrimidine 5'-acylphosphoadenosine carboxylic acid derivative pyrimidine ketone saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-keto acid organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate keto acid secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound acyl phosphate

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