PubChemLite - Pa(20:2(11z,14z)/18:4(6z,9z,12z,15z)) (C41H69O8P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC

InChI

InChI=1S/C41H69O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21,26,28,39H,3-5,7,9-10,15-16,20,22-25,27,29-38H2,1-2H3,(H2,44,45,46)/b8-6-,13-11-,14-12-,19-17-,21-18-,28-26-/t39-/m1/s1

InChIKey

HXQVWPOFEHYZOC-SQBIYZFASA-N

Compound name

[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropyl] (11Z,14Z)-icosa-11,14-dienoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	721.48028	270.3
[M+Na]+	743.46222	273.2
[M+NH4]+	738.50682	274.0
[M+K]+	759.43616	273.6
[M-H]-	719.46572	261.6
[M+Na-2H]-	741.44767	270.6
[M]+	720.47245	269.1
[M]-	720.47355	269.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

721.48028

270.3

[M+Na]+

743.46222

273.2

[M+NH4]+

738.50682

274.0

[M+K]+

759.43616

273.6

[M-H]-

719.46572

261.6

[M+Na-2H]-

741.44767

270.6

[M]+

720.47245

269.1

[M]-

720.47355

269.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Pa(20:2(11z,14z)/18:4(6z,9z,12z,15z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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