DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:54 UTC
Update Date	2025-03-25 00:54:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205580
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉N₄O₁₂P
Molecular Mass	454.0737
SMILES	Nc1c(C(=O)NC(CC(=O)O)C(=O)OP(=O)(O)O)ncn1C1OC(CO)C(O)C1O
InChI Key	LRUBTXKZGMGFIN-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 acyl monophosphates alpha amino acids amino acids aspartic acid and derivatives azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organic phosphoric acids and derivatives organopnictogen compounds oxacyclic compounds phosphoethanolamines primary alcohols primary amines secondary alcohols secondary carboxylic acid amides 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 2-heteroaryl carboxamide phosphoethanolamine saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound 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 acyl monophosphate heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound acyl phosphate

Showing information for DMID02205580