DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:32 UTC
Update Date	2025-03-25 00:51:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02188852
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₆O₁₀
Molecular Mass	498.171
SMILES	CC(O)C(NC(=O)CCC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O)C(=O)O
InChI Key	LQDZBBUKCKICJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid glutamine or derivatives amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine beta-hydroxy acid 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 secondary aliphatic/aromatic amine alpha-dipeptide secondary carboxylic acid amide dicarboxylic acid or derivatives hydrocarbon derivative amine fatty acyl carbonyl group amino acid fatty amide pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran hydroxy acid secondary amine carboxamide group n-acyl-amine oxacycle organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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