DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:09 UTC
Update Date	2025-03-25 00:51:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185656
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₆O₁₂P₂
Molecular Mass	500.0458
SMILES	Nc1nc(NCC(=O)O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)c2n1
InChI Key	JUKBBSIRCXGUHK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines tetrahydrofurans
Substituents	carbonyl group carboxylic acid pentose phosphate amino acid or derivatives amino acid purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound secondary amine organic pyrophosphate secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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