DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:37 UTC
Update Date	2025-03-25 00:54:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02209577
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₅O₉P
Molecular Mass	409.0999
SMILES	CC(NP(=O)(O)OCC1OC(n2cnc(C(N)=O)c2N)C(O)C1O)C(=O)O
InChI Key	PGHPOLZRQPQDOW-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 2-heteroaryl carboxamides alanine and derivatives alpha amino acids amino acids azacyclic compounds carbonyl compounds carbonylimidazoles carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic phosphoramides organopnictogen compounds oxacyclic compounds phosphate esters phosphoric monoester monoamides primary amines primary carboxylic acid amides secondary alcohols tetrahydrofurans vinylogous amides
Substituents	primary carboxylic acid amide 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 saccharide organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidazole-4-carbonyl group organic phosphoric acid amide organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol phosphoric monoester monoamide vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group 1-ribosyl-imidazolecarboxamide oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester secondary alcohol alanine or derivatives hydrocarbon derivative primary amine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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