DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:57 UTC
Update Date	2025-03-25 00:54:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203410
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₄N₆O₁₂
Molecular Mass	528.1452
SMILES	O=C(O)CC(NC(=O)CC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C(O)C1O)C(=O)O)C(=O)O
InChI Key	LREXHCIESYSOLU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids asparagine and derivatives 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 oxanes primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide monosaccharide tricarboxylic acid or derivatives alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives oxane primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary amine carboxamide group n-acyl-amine secondary aliphatic/aromatic amine oxacycle secondary carboxylic acid amide organic oxygen compound hybrid glycopeptide aspartic acid or derivatives secondary alcohol hydrocarbon derivative purine organic nitrogen compound organooxygen compound amine

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