CID 52929745

Pa(p-18:0/22:6(4z,7z,10z,13z,16z,19z))

Structural Information

Molecular Formula
C43H73O7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C43H73O7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-43(44)50-42(41-49-51(45,46)47)40-48-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,37,39,42H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-36,38,40-41H2,1-2H3,(H2,45,46,47)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-,39-37-/t42-/m1/s1
InChIKey
RTHPACPSVPHLAN-FHCBXFGQSA-N
Compound name
[(2R)-1-[(Z)-octadec-1-enoxy]-3-phosphonooxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.5094 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.51668 272.3
[M+Na]+ 755.49862 275.7
[M-H]- 731.50212 261.8
[M+NH4]+ 750.54322 275.7
[M+K]+ 771.47256 277.2
[M+H-H2O]+ 715.50666 261.8
[M+HCOO]- 777.50760 278.9
[M+CH3COO]- 791.52325 279.8
[M+Na-2H]- 753.48407 252.0
[M]+ 732.50885 269.1
[M]- 732.50995 269.1
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

No patent data available for this compound.