DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:27 UTC
Update Date	2025-03-25 00:57:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227613
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₇O₇
Molecular Mass	425.1659
SMILES	CC(=O)NC(C(=O)NCC1OC(n2cnc3c(=O)[nH]c(N)nc32)C(O)C1O)C(C)O
InChI Key	YQDBHDJSSOFZEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	5'-deoxyribonucleosides
Subclass	5'-deoxyribonucleosides
Direct Parent	5'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group lactam amino acid or derivatives fatty amide monosaccharide pyrimidone alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide 5'-deoxyribonucleoside alpha-amino acid amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine n-substituted-alpha-amino acid oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol hypoxanthine hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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