DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:50 UTC
Update Date	2025-03-25 00:55:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02212548
Frequency	0.5
Structure
Chemical Formula	C₃₂H₆₀N₆O₁₀P₂
Molecular Mass	750.3846
SMILES	CCCCCCCCCCCCCCCCCCC(O)C(N)COP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	XEFBVMFQCLWKLZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	sphingolipids
Subclass	phosphosphingolipids
Direct Parent	phosphosphingolipids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate imidazopyrimidine 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 oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative primary aliphatic amine sphingoid-1-phosphate or derivatives primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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