(Q27462343)

[S,(?)]-1-O-Stearoyl-2-O-oleoyl-D-glycerol 3-(phosphoric acid 2-aminoethyl) ester (English)

1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₁H₈₀NO₈P

1 reference

[S,(?)]-1-O-Stearoyl-2-O-oleoyl-D-glycerol 3-(phosphoric acid 2-aminoethyl) ester (English)

19 October 2016

canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC

1 reference

[S,(?)]-1-O-Stearoyl-2-O-oleoyl-D-glycerol 3-(phosphoric acid 2-aminoethyl) ester (English)

19 October 2016

isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC

1 reference

[S,(?)]-1-O-Stearoyl-2-O-oleoyl-D-glycerol 3-(phosphoric acid 2-aminoethyl) ester (English)

InChI=1S/C41H80NO8P/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/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

[S,(?)]-1-O-Stearoyl-2-O-oleoyl-D-glycerol 3-(phosphoric acid 2-aminoethyl) ester (English)

JQKOHRZNEOQNJE-VYCVAHKRSA-N

19 October 2016

InChIKey

1 reference

[S,(?)]-1-O-Stearoyl-2-O-oleoyl-D-glycerol 3-(phosphoric acid 2-aminoethyl) ester (English)

19 October 2016

1 reference

(21S)-27-Amino-24-hydroxy-24-oxido-18-oxo-19,23,25-trioxa-24lambda~5~-phosphaheptacosan-21-yl (9Z)-9-octadecenoate (English)

19 October 2016

2 references

[S,(?)]-1-O-Stearoyl-2-O-oleoyl-D-glycerol 3-(phosphoric acid 2-aminoethyl) ester (English)

matched by identifier from

19 October 2016

InChIKey

JQKOHRZNEOQNJE-VYCVAHKRSA-N

1 reference

1 reference

3L9R (English)