DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:00:30 UTC
Update Date	2025-03-24 20:59:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01634836
Frequency	0.8
Structure
Chemical Formula	C₂₂H₃₉N₇O₂₁P₄S
Molecular Mass	893.087
SMILES	CC(C)(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS(=O)(=O)O
InChI Key	YMWSSAHWQBODNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	pentose phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds beta amino acids and derivatives carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds organosulfonic acids oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides sulfonyls tetrahydrofurans
Substituents	amino acid or derivatives pentose-5-phosphate imidazopyrimidine organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound alcohol azacycle heteroaromatic compound secondary carboxylic acid amide monoalkyl phosphate hydrocarbon derivative primary amine amine fatty acyl organosulfonic acid or derivatives carbonyl group pentose phosphate organosulfonic acid fatty amide organosulfur compound carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound imidolactam azole n-substituted imidazole tetrahydrofuran carboxamide group n-acyl-amine beta amino acid or derivatives oxacycle sulfonyl phosphoric acid ester organic sulfonic acid or derivatives secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate

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