DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:17:48 UTC
Update Date	2025-03-21 18:35:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00104944
Frequency	25.8
Structure
Chemical Formula	C₁₅H₂₅N₅O₆
Molecular Mass	371.1805
SMILES	Nc1ccn(C2OC(CNCCCCC(N)C(=O)O)C(O)C2O)c(=O)n1
InChI Key	XLGCPMXQVCRIOD-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 heteromonocyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines 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 organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pyrimidones secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid pyrimidone 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 imidolactam organoheterocyclic compound 1,2-diol alcohol secondary aliphatic amine 5'-deoxyribonucleoside carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound secondary amine amino fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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