DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:02:55 UTC
Update Date	2025-03-24 20:35:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01496503
Frequency	0.9
Structure
Chemical Formula	C₂₁H₃₅N₆O₂₅P₅
Molecular Mass	926.034
SMILES	CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)CC2O)OC(CO)C(O)C1OC(C)C(=O)O
InChI Key	GJIKJCOEKLFYGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	sugar acids and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkyl ethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl-alpha-hexosamines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine 2'-deoxyribonucleoside polyphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group ether carboxylic acid pentose phosphate amino acid or derivatives amino acid monosaccharide imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate carboxylic acid derivative dialkyl ether n-acyl-alpha-hexosamine pyrimidine muramic_acid organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound oxane primary alcohol imidolactam organoheterocyclic compound acetamide azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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