PubChemLite - Pg(p-16:0/12:0) (C34H67O9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C34H67O9P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-40-30-33(31-42-44(38,39)41-29-32(36)28-35)43-34(37)26-24-22-20-18-12-10-8-6-4-2/h25,27,32-33,35-36H,3-24,26,28-31H2,1-2H3,(H,38,39)/b27-25-/t32-,33+/m0/s1

InChIKey

LYMKAXUAYAJLFF-PFVTWMDXSA-N

Compound name

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] dodecanoate

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]+	651.45958	260.3
[M+Na]+	673.44152	260.0
[M-H]-	649.44502	250.5
[M+NH4]+	668.48612	262.5
[M+K]+	689.41546	260.9
[M+H-H2O]+	633.44956	249.9
[M+HCOO]-	695.45050	260.9
[M+CH3COO]-	709.46615	264.7
[M+Na-2H]-	671.42697	239.4
[M]+	650.45175	257.7
[M]-	650.45285	257.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

651.45958

260.3

[M+Na]+

673.44152

260.0

[M-H]-

649.44502

250.5

[M+NH4]+

668.48612

262.5

[M+K]+

689.41546

260.9

[M+H-H2O]+

633.44956

249.9

[M+HCOO]-

695.45050

260.9

[M+CH3COO]-

709.46615

264.7

[M+Na-2H]-

671.42697

239.4

[M]+

650.45175

257.7

[M]-

650.45285

257.7

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

Pg(p-16:0/12:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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