DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:39 UTC
Update Date	2025-03-21 18:28:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00070900
Frequency	42.4
Structure
Chemical Formula	C₁₅H₂₂N₄O₉
Molecular Mass	402.1387
SMILES	Nc1c(C(=O)NC(CCCC(=O)O)C(=O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	FTMUCYHIUISAFV-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	2-heteroaryl carboxamides alpha amino acids amino acids amino fatty acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids imidazoles medium-chain fatty acids medium-chain hydroxy acids and derivatives monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative 2-heteroaryl carboxamide medium-chain hydroxy acid saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid imidazole-4-carbonyl group primary alcohol organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol vinylogous amide azacycle n-acyl-alpha-amino acid tetrahydrofuran heteroaromatic compound carboxamide group amino fatty acid 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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