CID 52929031

Pa(18:4(6z,9z,12z,15z)/18:3(9z,12z,15z))

Structural Information

Molecular Formula
C39H63O8P
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O
InChI
InChI=1S/C39H63O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23,25,37H,3-4,9-10,15-16,21-22,24,26-36H2,1-2H3,(H2,42,43,44)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-/t37-/m1/s1
InChIKey
AZTLRBCQBMAQAJ-ZFEKUQNFSA-N
Compound name
[(2R)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

690.4261 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.43338 261.2
[M+Na]+ 713.41532 264.8
[M+NH4]+ 708.45992 265.0
[M+K]+ 729.38926 264.8
[M-H]- 689.41882 254.0
[M+Na-2H]- 711.40077 262.6
[M]+ 690.42555 260.5
[M]- 690.42665 260.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.