DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:09 UTC
Update Date	2025-03-25 00:46:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156161
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₆O₉S
Molecular Mass	514.1482
SMILES	CSCCC(NC(=O)CC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O)C(=O)O
InChI Key	AAZJPUUXLCAQMH-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 azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams methionine and derivatives 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 sulfenyl compounds tetrahydrofurans thia fatty acids
Substituents	carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid asparagine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether purine nucleoside heteroaromatic compound secondary aliphatic/aromatic amine secondary carboxylic acid amide thioether methionine or derivatives hybrid glycopeptide dicarboxylic acid or derivatives hydrocarbon derivative amine fatty acyl carbonyl group amino acid fatty amide organosulfur compound carboxylic acid derivative 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 thia fatty acid organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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