DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:09 UTC
Update Date	2025-03-25 00:47:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160522
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₂N₈O₈
Molecular Mass	524.2343
SMILES	Nc1ncnc2c1ncn2C1OC(CNC(CCCCNC(=O)CCC(N)C(=O)O)C(=O)O)C(O)C1O
InChI Key	XTNPFKYWNLYHBU-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	1,2-diols alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives glutamine and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carboxylic acid glutamine or derivatives amino acid or derivatives monosaccharide alpha-amino acid or derivatives imidazopyrimidine medium-chain hydroxy acid saccharide organonitrogen compound alpha-amino acid hydroxy fatty acid organoheterocyclic compound 1,2-diol alcohol secondary aliphatic amine azacycle heteroaromatic compound secondary carboxylic acid amide dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine primary amine amine fatty acyl carbonyl group amino acid heterocyclic fatty acid fatty amide fatty acid carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound medium-chain fatty acid imidolactam azole n-substituted imidazole 5'-deoxyribonucleoside tetrahydrofuran secondary amine carboxamide group amino fatty acid n-acyl-amine oxacycle organic oxygen compound secondary alcohol purine organic nitrogen compound organooxygen compound

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