DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:28 UTC
Update Date	2025-03-21 18:41:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00132872
Frequency	19.0
Structure
Chemical Formula	C₁₆H₂₄N₅O₁₈P₃
Molecular Mass	667.0329
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(=O)C(O)C(O)C2O)C(O)C1O
InChI Key	FEGWHIHYWHIGHQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	monosaccharides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acid esters delta valerolactones gluconolactones heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	carbonyl group pentose phosphate amino acid or derivatives delta valerolactone purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine carboxylic acid derivative pyrimidine lactone organic oxide gluconolactone aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane imidolactam delta_valerolactone purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate carboxylic acid ester secondary alcohol hexose phosphate hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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