DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:50:30 UTC
Update Date	2025-03-25 00:28:41 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02039595
Frequency	0.6
Structure
Chemical Formula	C₄₄H₇₈N₆O₁₈P₂
Molecular Mass	1040.4848
SMILES	CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(CO)OC(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCCCCCC
InChI Key	MJFCJMZBKVKJQI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters dialkyl phosphates fatty acid esters heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monocarboxylic acids and derivatives monosaccharides n-acyl amines n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	amino acid or derivatives purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine beta-hydroxy acid saccharide organonitrogen compound oxane organoheterocyclic compound alcohol azacycle heteroaromatic compound 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 dialkyl phosphate monocarboxylic acid or derivatives organic oxygen compound phosphoric acid ester hexose phosphate secondary alcohol purine organic nitrogen compound saccharolipid organic phosphoric acid derivative alkyl phosphate organooxygen compound

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