DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:07 UTC
Update Date	2025-03-21 17:57:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00011092
Frequency	419.5
Structure
Chemical Formula	C₁₆H₂₅N₇O₅
Molecular Mass	395.1917
SMILES	Nc1ncnc2c1ncn2C1OC(CNCCCCC(N)C(=O)O)C(O)C1O
InChI Key	YVSWWRDQSCAFTA-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 heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles imidolactams medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative medium-chain hydroxy acid pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol secondary aliphatic amine 5'-deoxyribonucleoside 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 purine organic nitrogen compound amine organooxygen compound

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