DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:21 UTC
Update Date	2025-03-25 00:58:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02229549
Frequency	0.5
Structure
Chemical Formula	C₂₄H₄₀N₅O₉P
Molecular Mass	573.2564
SMILES	CCCCCCCCCCCC(O)CC(=O)OC1C(CO)OC(n2cnc3c(N)ncnc32)C1OP(=O)(O)O
InChI Key	HJTYQHQMUMYBAT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	imidazopyrimidines
Subclass	purines and purine derivatives
Direct Parent	purines and purine derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters fatty acid esters heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group amino acid or derivatives carboxylic acid derivative pyrimidine beta-hydroxy acid organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid oxacycle fatty acid ester monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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