Marvin  11120715422D          

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 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
> <ID>
CHEBI:47766

> <NAME>
(R)-1,2-distearoylphosphatidylethanolamine

> <DEFINITION>
An optically active form of 1,2-distearoylphosphatidylethanolamine having (R)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44886; CHEBI:47765

> <SYNONYM>
Distearoyl phosphatidylethanolamine; DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE; 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine; 1,2-dioctadecanoyl-sn-glycero-3-phosphoethanolamine; (R)-1-((((2-Aminoethoxy)hydroxyphosphinyl)oxy)methyl)ethane-1,2-diyl distearate

> <IUPAC_NAME>
(2R)-3-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctadecanoate

> <FORMULA>
C41H82NO8P

> <MASS>
748.06548

> <MONOISOTOPIC_MASS>
747.57781

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

> <INCHI>
InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1

> <INCHIKEY>
LVNGJLRDBYCPGB-LDLOPFEMSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1730641

> <CAS_REGISTRY_NUMBER>
1069-79-0

> <REAXYS_REGISTRY_NUMBER>
1730641

> <CHEMIDPLUS>
1069-79-0

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP02010097

> <PDBECHEM_ACCESSION>
PEH

> <PUBMED_CITATION>
15450304; 16233428; 18573626; 18604658; 19281828; 19534457; 21397464

$$$$