DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:45 UTC
Update Date	2025-03-25 01:00:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241825
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₆N₇O₁₁P
Molecular Mass	547.1428
SMILES	CC(O)C(NC(=O)CC(N)C(=O)O)C(=O)Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1
InChI Key	DFHDMTBYOVSYNG-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 acid amides alpha amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid monosaccharide alpha-amino acid or derivatives imidazopyrimidine saccharide organonitrogen compound alpha-amino acid asparagine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound n-substituted-alpha-amino acid secondary carboxylic acid amide monoalkyl phosphate hybrid glycopeptide hydrocarbon derivative primary aliphatic amine fatty acyl carbonyl group pentose phosphate fatty amide n-arylamide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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