Marvin  04290823492D          

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  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3 51  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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 25 30  2  0  0  0  0
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 29 30  1  0  0  0  0
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 36 37  1  0  0  0  0
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 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
M  END
> <ID>
CHEBI:47764

> <NAME>
1,2-distearoylphosphatidylethanolamine

> <DEFINITION>
A phosphatidylethanolamine in which the phosphatidyl acyl group at C-1 and C-2 is stearoyl.

> <STAR>
3

> <SYNONYM>
PE(18:0/18:0); PE 18:0; octadecanoic acid, 1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl ester; DSPE; 3-({[(2-aminoethyl)oxy](hydroxy)phosphoryl}oxy)propane-1,2-diyl dioctadecanoate; 1-((((2-aminoethoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl octadecanoate; 1,2-distearoylphosphatidylethanolamine; 1,2-dioctadecanoyl-sn-glycero-3-phosphoethanolamine

> <IUPAC_NAME>
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)OCC(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)

> <INCHIKEY>
LVNGJLRDBYCPGB-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1811185

> <CAS_REGISTRY_NUMBER>
4537-76-2

> <REAXYS_REGISTRY_NUMBER>
1730642

> <CHEMIDPLUS>
4537-76-2

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMGP02010025

$$$$