CID 5313276

1,2-dipalmitoleoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C40H77NO8P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,38H,6-15,20-37H2,1-5H3/p+1/b18-16-,19-17-/t38-/m1/s1
InChIKey
GPWHCUUIQMGELX-VHQDNGOZSA-O
Compound name
2-[[(2R)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

641
Patents

730.5387 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.54598 277.8
[M+Na]+ 753.52792 280.7
[M+NH4]+ 748.57252 254.3
[M+K]+ 769.50186 286.4
[M-H]- 729.53142 272.3
[M+Na-2H]- 751.51337 266.5
[M]+ 730.53815 278.1
[M]- 730.53925 278.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe