DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:39 UTC
Update Date	2025-03-21 18:39:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00126223
Frequency	20.3
Structure
Chemical Formula	C₁₈H₂₂N₆O₁₁
Molecular Mass	498.1347
SMILES	O=C(O)CC(NC(=O)C(CC(=O)O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O
InChI Key	DPTYHKWVFODZOZ-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 acid amides alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carboxylic acids 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 tricarboxylic acids and derivatives
Substituents	carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid purine nucleoside heteroaromatic compound n-substituted-alpha-amino acid secondary aliphatic/aromatic amine alpha-dipeptide secondary carboxylic acid amide aspartic acid or derivatives hydrocarbon derivative amine fatty acyl carbonyl group amino acid fatty amide tricarboxylic acid or derivatives pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran secondary amine carboxamide group n-acyl-amine oxacycle organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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