DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:48:23 UTC
Update Date	2025-03-24 20:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01605507
Frequency	0.8
Structure
Chemical Formula	C₃₀H₅₂N₅O₂₀P₃
Molecular Mass	895.2418
SMILES	CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O
InChI Key	VPQDCCCIPPWLPS-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	alkyl glycosides amino acids and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters fatty acid esters fatty acyl glycosides of mono- and disaccharides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives saccharolipids secondary alcohols tetrahydrofurans
Substituents	fatty acyl glycoside of mono- or disaccharide amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine beta-hydroxy acid organonitrogen compound oxane purine ribonucleoside triphosphate organoheterocyclic compound alcohol fatty acyl glycoside azacycle heteroaromatic compound fatty acid ester monoalkyl phosphate carboxylic acid ester hydrocarbon derivative primary amine amine fatty acyl carbonyl group pentose phosphate carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran hydroxy acid oxacycle monocarboxylic acid or derivatives phosphoric acid ester secondary alcohol purine organic nitrogen compound saccharolipid organic phosphoric acid derivative alkyl phosphate alkyl glycoside

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