PubChemLite - Pg(20:2(11z,14z)/0:0) (C26H49O9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H49O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30)33-21-25(29)23-35-36(31,32)34-22-24(28)20-27/h6-7,9-10,24-25,27-29H,2-5,8,11-23H2,1H3,(H,31,32)/b7-6-,10-9-/t24-,25+/m0/s1

InChIKey

ALJXGNMOATZBMV-XTYNSLPVSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] (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]+	537.31868	228.5
[M+Na]+	559.30062	229.2
[M-H]-	535.30412	222.2
[M+NH4]+	554.34522	229.0
[M+K]+	575.27456	226.4
[M+H-H2O]+	519.30866	217.9
[M+HCOO]-	581.30960	231.6
[M+CH3COO]-	595.32525	239.0
[M+Na-2H]-	557.28607	211.0
[M]+	536.31085	224.1
[M]-	536.31195	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.31868

228.5

[M+Na]+

559.30062

229.2

[M-H]-

535.30412

222.2

[M+NH4]+

554.34522

229.0

[M+K]+

575.27456

226.4

[M+H-H2O]+

519.30866

217.9

[M+HCOO]-

581.30960

231.6

[M+CH3COO]-

595.32525

239.0

[M+Na-2H]-

557.28607

211.0

[M]+

536.31085

224.1

[M]-

536.31195

224.1

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

Pg(20:2(11z,14z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe