CID 131822019

Pa(20:4(8z,11z,14z,17z)/14:0)

Structural Information

Molecular Formula
C37H65O8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)O
InChI
InChI=1S/C37H65O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-21-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,35H,3-4,6,8-10,12,14-15,18,21-34H2,1-2H3,(H2,40,41,42)/b7-5-,13-11-,17-16-,20-19-/t35-/m1/s1
InChIKey
QCHSOBDJYHOQKA-RJAPBUJASA-N
Compound name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

668.4417 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.44898 260.8
[M+Na]+ 691.43092 263.1
[M+NH4]+ 686.47552 264.7
[M+K]+ 707.40486 263.1
[M-H]- 667.43442 251.9
[M+Na-2H]- 689.41637 261.6
[M]+ 668.44115 259.4
[M]- 668.44225 259.4
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.