CID 52923360

Pc(20:5(5z,8z,11z,14z,17z)/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C46H75NO8P
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C46H74NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-22,24-26,29-32,44H,6-7,12-13,18-19,23,27-28,33-43H2,1-5H3/p+1/b10-8-,11-9-,16-14-,17-15-,22-20-,24-21-,26-25-,31-29-,32-30-/t44-/m1/s1
InChIKey
DIKPCCMAVMXMTL-IRBHRUNSSA-O
Compound name
2-[hydroxy-[(2R)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

800.523 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.53028 282.0
[M+Na]+ 823.51222 285.7
[M+NH4]+ 818.55682 259.4
[M+K]+ 839.48616 294.2
[M-H]- 799.51572 247.2
[M+Na-2H]- 821.49767 271.1
[M]+ 800.52245 283.2
[M]- 800.52355 283.2
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.