DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:22 UTC
Update Date	2025-03-25 00:45:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151976
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₆O₈P
Molecular Mass	390.0689
SMILES	NC(=O)c1nc(N)c2ncn(C3OC(CO)C(OP(=O)(O)O)C3O)c2n1
InChI Key	MRZKEZCQLVWMFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-heteroaryl carboxamides amino acids and derivatives azacyclic compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines primary carboxylic acid amides purines and purine derivatives pyrimidinecarboxylic acids and derivatives secondary alcohols tetrahydrofurans
Substituents	primary carboxylic acid amide pentose phosphate amino acid or derivatives monosaccharide imidazopyrimidine carboxylic acid derivative 2-heteroaryl carboxamide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole ribonucleoside 3'-phosphate alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative pyrimidine-2-carboxylic acid or derivatives amine alkyl phosphate organooxygen compound

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