DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:10 UTC
Update Date	2025-03-25 01:01:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02247534
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₅O₈
Molecular Mass	387.139
SMILES	Nc1c(C(=O)NC(=O)C(N)CCC(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	MIJDYYYZYIPQOZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	imidazole ribonucleosides and ribonucleotides
Subclass	1-ribosyl-imidazolecarboxamides
Direct Parent	1-ribosyl-imidazolecarboxamides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboximides glutamic acid and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds oxacyclic compounds primary alcohols secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid monosaccharide alpha-amino acid or derivatives carboxylic acid derivative carboxylic acid imide, n-unsubstituted saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group dicarboximide primary alcohol organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide alpha-amino acid amide azacycle tetrahydrofuran heteroaromatic compound glutamic acid or derivatives n-acyl-amine 1-ribosyl-imidazolecarboxamide carboxylic acid imide 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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