DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:34:12 UTC
Update Date	2025-03-21 18:45:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00143724
Frequency	30.3
Structure
Chemical Formula	C₁₈H₂₈N₅O₁₉P₃
Molecular Mass	711.0591
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]cnc43)C(O)C2O)OC(CO)C(O)C1O
InChI Key	CUDLZQXXEPWZCP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	n-acyl-alpha-hexosamines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides azacyclic compounds carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides tetrahydrofurans vinylogous amides
Substituents	carbonyl group lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol purine ribonucleoside triphosphate organoheterocyclic compound acetamide azole n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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