2,3-bis-o-(geranylgeranyl)-sn-glycerol 1-phosphate (C43H73O6P)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](COP(=O)(O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C

InChI

InChI=1S/C43H73O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43H,11-16,19-20,23-24,27-28,31-34H2,1-10H3,(H2,44,45,46)/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-/m0/s1

InChIKey

WHMXLRRVANEOOG-MVFIEKMPSA-N

Compound name

[(2S)-2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]propyl] dihydrogen phosphate

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]+	717.521746	262.1
[M+Na]+	739.503688	269.7
[M-H]-	715.507194	261.6
[M+NH4]+	734.548293	276.0
[M+K]+	755.477628	275.0
[M+H-H2O]+	699.511730	255.8
[M+HCOO]-	761.512671	252.2
[M+CH3COO]-	775.528321	281.9
[M+Na-2H]-	737.489136	247.5
[M]+	716.51392142	260.7
[M]-	716.51501858	260.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

717.521746

262.1

[M+Na]+

739.503688

269.7

[M-H]-

715.507194

261.6

[M+NH4]+

734.548293

276.0

[M+K]+

755.477628

275.0

[M+H-H2O]+

699.511730

255.8

[M+HCOO]-

761.512671

252.2

[M+CH3COO]-

775.528321

281.9

[M+Na-2H]-

737.489136

247.5

[M]+

716.51392142

260.7

[M]-

716.51501858

260.7

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

2,3-bis-o-(geranylgeranyl)-sn-glycerol 1-phosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe