DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:00 UTC
Update Date	2025-03-25 00:45:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02148796
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₂N₅O₁₁P
Molecular Mass	467.1053
SMILES	Nc1c(C(=O)NC(=O)C(N)CCC(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	VRMWJXXDYABFKQ-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	1,2-diols 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 monoalkyl phosphates monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates secondary alcohols tetrahydrofurans vinylogous amides
Substituents	carboxylic acid amino acid or derivatives monosaccharide pentose-5-phosphate alpha-amino acid or derivatives carboxylic acid imide, n-unsubstituted saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound 1,2-diol alcohol vinylogous amide alpha-amino acid amide azacycle heteroaromatic compound glutamic acid or derivatives carboxylic acid imide monoalkyl phosphate hydrocarbon derivative primary aliphatic amine primary amine amine carbonyl group aromatic heteromonocyclic compound pentose phosphate amino acid carboxylic acid derivative organic oxide imidazole organopnictogen compound imidazole-4-carbonyl group dicarboximide azole n-substituted imidazole tetrahydrofuran n-acyl-amine 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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