DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:00 UTC
Update Date	2025-03-21 18:40:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00131822
Frequency	19.2
Structure
Chemical Formula	C₁₅H₂₄N₄O₇
Molecular Mass	372.1645
SMILES	NCCCC(=O)NC(Cc1cn(C2OC(CO)C(O)C2O)cn1)C(=O)O
InChI Key	HFRWEBQISSGSQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	imidazole ribonucleosides and ribonucleotides
Direct Parent	imidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl imidazole ribonucleoside carbonyl group carboxylic acid aromatic heteromonocyclic compound gamma amino acid or derivatives fatty amide monosaccharide alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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