DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:15:20 UTC
Update Date	2025-03-25 01:46:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02514905
Frequency	0.5
Structure
Chemical Formula	C₄₄H₇₉N₆O₂₁P₃
Molecular Mass	1120.4511
SMILES	CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(CO)OC(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCCCCCC
InChI Key	ALDMKHDINYIGKY-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	amino acids and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters fatty acid esters heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives n-acyl amines 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 pyrimidines and pyrimidine derivatives saccharolipids secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine beta-hydroxy acid purine ribonucleoside diphosphate organonitrogen compound oxane organoheterocyclic compound alcohol azacycle heteroaromatic compound organic pyrophosphate secondary carboxylic acid amide fatty acid ester monoalkyl phosphate carboxylic acid ester hydrocarbon derivative primary amine amine fatty acyl carbonyl group pentose phosphate fatty amide carboxylic acid derivative pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran hydroxy acid carboxamide group n-acyl-amine oxacycle monocarboxylic acid or derivatives phosphoric acid ester hexose phosphate secondary alcohol purine organic nitrogen compound saccharolipid organic phosphoric acid derivative alkyl phosphate

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