DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:01 UTC
Update Date	2025-03-25 00:50:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180830
Frequency	0.5
Structure
Chemical Formula	C₂₃H₂₆N₆O₉
Molecular Mass	530.1761
SMILES	O=C(O)CCC(NC(=O)c1ccc(NCc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1)C(=O)O
InChI Key	OKMYFYQCNNTTSR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazoles monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds phenylalkylamines primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives benzoyl monosaccharide alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid purine nucleoside heteroaromatic compound glutamic acid or derivatives secondary aliphatic/aromatic amine secondary carboxylic acid amide dicarboxylic acid or derivatives hydrocarbon derivative amine carbonyl group amino acid carboxylic acid derivative benzamide pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol azole n-substituted imidazole tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group oxacycle organic oxygen compound secondary alcohol phenylalkylamine benzenoid purine organic nitrogen compound organooxygen compound

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