DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:23 UTC
Update Date	2025-03-21 18:02:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039435
Frequency	88.3
Structure
Chemical Formula	C₂₁H₃₂N₆O₁₈P₂
Molecular Mass	718.1248
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	ZYOKZJHMAOVKJE-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 amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside diphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols secondary carboxylic acid amides sugar acids and derivatives tetrahydrofurans vinylogous amides
Substituents	lactam carboxylic acid amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether muramic_acid purine ribonucleoside diphosphate organonitrogen compound oxane organoheterocyclic compound acetamide alcohol vinylogous amide azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide monoalkyl phosphate hypoxanthine hydrocarbon derivative primary amine amine carbonyl group ether pentose phosphate amino acid pyrimidone carboxylic acid derivative pyrimidine n-acyl-alpha-hexosamine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol azole n-substituted imidazole tetrahydrofuran carboxamide group oxacycle monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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