DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:56:19 UTC
Update Date	2025-03-24 21:24:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01768968
Frequency	0.7
Structure
Chemical Formula	C₄₆H₈₂N₆O₁₁P₂
Molecular Mass	956.5517
SMILES	CCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O)C(O)CCCCCCCC=CCCCCCCC
InChI Key	PGMFUDGFZAEEMK-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	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-acyl amines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds phosphoethanolamines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group pentose phosphate amino acid or derivatives fatty amide imidazopyrimidine carboxylic acid derivative pyrimidine phosphoethanolamine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide dialkyl phosphate phosphoric acid ester secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate

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