CID 131821978

Pa(20:1(11z)/20:3(5z,8z,11z))

Structural Information

Molecular Formula
C43H77O8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChI
InChI=1S/C43H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,24,26,30,32,41H,3-16,21-23,25,27-29,31,33-40H2,1-2H3,(H2,46,47,48)/b19-17-,20-18-,26-24-,32-30-/t41-/m1/s1
InChIKey
PXYNMSWUOOLSHY-QNXMOLMYSA-N
Compound name
[(2R)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

752.5356 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.54288 281.2
[M+Na]+ 775.52482 283.0
[M+NH4]+ 770.56942 284.9
[M+K]+ 791.49876 284.0
[M-H]- 751.52832 270.3
[M+Na-2H]- 773.51027 280.0
[M]+ 752.53505 279.3
[M]- 752.53615 279.3
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.