DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:00 UTC
Update Date	2025-03-25 00:47:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160202
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₅N₅O₅
Molecular Mass	355.1856
SMILES	Nc1ccn(C2CC(O)C(CNCCCCC(N)C(=O)O)O2)c(=O)n1
InChI Key	AIAIWSHTXGVIKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	2',5'-dideoxyribonucleosides
Subclass	2',5'-dideoxyribonucleosides
Direct Parent	2',5'-dideoxyribonucleosides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	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 2',5'-dideoxyribonucleoside 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 alcohol secondary aliphatic amine 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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