DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:23 UTC
Update Date	2025-03-25 00:57:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223054
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₆N₄O₈
Molecular Mass	414.1751
SMILES	NC(CCCCCC(=O)Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1)C(=O)O
InChI Key	DDWFRTFNCBQRDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	pyrimidine nucleosides
Subclass	pyrimidine nucleosides
Direct Parent	pyrimidine nucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds primary alcohols pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid fatty amide monosaccharide fatty acid pyrimidone n-arylamide alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid pyrimidine saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid pyrimidine nucleoside primary alcohol imidolactam organoheterocyclic compound alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound carboxamide group amino fatty acid oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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