PubChemLite - Pg(16:1(9z)/16:0) (C38H73O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OC[C@H](CO)O

InChI

InChI=1S/C38H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,35-36,39-40H,3-12,14,16-34H2,1-2H3,(H,43,44)/b15-13-/t35-,36+/m0/s1

InChIKey

JZMVGKUGUWBISQ-BWTMDTOGSA-N

Compound name

[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] hexadecanoate

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]+	721.50142	274.5
[M+Na]+	743.48336	274.7
[M+NH4]+	738.52796	279.5
[M+K]+	759.45730	276.0
[M-H]-	719.48686	265.3
[M+Na-2H]-	741.46881	273.9
[M]+	720.49359	272.8
[M]-	720.49469	272.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

721.50142

274.5

[M+Na]+

743.48336

274.7

[M+NH4]+

738.52796

279.5

[M+K]+

759.45730

276.0

[M-H]-

719.48686

265.3

[M+Na-2H]-

741.46881

273.9

[M]+

720.49359

272.8

[M]-

720.49469

272.8

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

Pg(16:1(9z)/16:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe