DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:52 UTC
Update Date	2025-03-25 00:53:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02198622
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₆N₃O₆+
Molecular Mass	380.1816
SMILES	NC(CCCC[n+]1cn(C2OC(CO)C(O)C2O)c2ccccc21)C(=O)O
InChI Key	RPWMSTYCRJWLFD-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	benzimidazole ribonucleosides and ribonucleotides
Subclass	benzimidazole ribonucleosides and ribonucleotides
Direct Parent	benzimidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino fatty acids azacyclic compounds benzenoids benzimidazoles carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic cations organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound benzimidazole imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organic cation primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol azacycle 1-ribofuranosylbenzimidazole tetrahydrofuran heteroaromatic compound amino fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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