DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:56 UTC
Update Date	2025-03-21 18:02:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00040749
Frequency	84.6
Structure
Chemical Formula	C₁₆H₂₄N₄O₉
Molecular Mass	416.1543
SMILES	NC(CCC(=O)NC(Cc1cn(C2OC(CO)C(O)C2O)cn1)C(=O)O)C(=O)O
InChI Key	ADLFBNFAQRQFRV-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heteroaromatic compounds hydrocarbon derivatives imidazole ribonucleosides and ribonucleotides imidazoles monoalkylamines monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl imidazole ribonucleoside carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound fatty amide monosaccharide alpha-amino acid or derivatives saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine alpha-dipeptide oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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