DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:10 UTC
Update Date	2025-03-25 00:50:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181206
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₅O₁₀P
Molecular Mass	463.1104
SMILES	O=C(O)CC(O)CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChI Key	CYVAAAGIKWCWJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates 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 imidazopyrimidine carboxylic acid derivative pyrimidine beta-hydroxy acid saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound delta amino acid or derivatives imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound hydroxy acid secondary amine secondary aliphatic/aromatic amine oxacycle monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound amine

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