PubChemLite - Geranylgeranyl triphosphate (C20H37O10P3)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)OP(=O)(O)O)/C)/C)/C)C

InChI

InChI=1S/C20H37O10P3/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-28-32(24,25)30-33(26,27)29-31(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H,26,27)(H2,21,22,23)/b18-11+,19-13+,20-15+

InChIKey

FTHNQSJUSPLYBM-QIRCYJPOSA-N

Compound name

[hydroxy(phosphonooxy)phosphoryl] [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen 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]+	531.16728	218.1
[M+Na]+	553.14922	219.2
[M-H]-	529.15272	221.5
[M+NH4]+	548.19382	225.5
[M+K]+	569.12316	214.6
[M+H-H2O]+	513.15726	192.3
[M+HCOO]-	575.15820	225.1
[M+CH3COO]-	589.17385	235.8
[M+Na-2H]-	551.13467	200.3
[M]+	530.15945	215.3
[M]-	530.16055	215.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

531.16728

218.1

[M+Na]+

553.14922

219.2

[M-H]-

529.15272

221.5

[M+NH4]+

548.19382

225.5

[M+K]+

569.12316

214.6

[M+H-H2O]+

513.15726

192.3

[M+HCOO]-

575.15820

225.1

[M+CH3COO]-

589.17385

235.8

[M+Na-2H]-

551.13467

200.3

[M]+

530.15945

215.3

[M]-

530.16055

215.3

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

Geranylgeranyl triphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe