PubChemLite - Monogalactosyldiacylglycerol-palmitoyl (C41H78O10)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(43)48-32-34(33-49-41-40(47)39(46)38(45)35(31-42)51-41)50-37(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35,38-42,45-47H,3-33H2,1-2H3

InChIKey

DFUALJIUMYYHRG-UHFFFAOYSA-N

Compound name

[2-hexadecanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] 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]+	731.56678	283.2
[M+Na]+	753.54872	281.2
[M+NH4]+	748.59332	281.5
[M+K]+	769.52266	281.9
[M-H]-	729.55222	271.3
[M+Na-2H]-	751.53417	280.2
[M]+	730.55895	279.5
[M]-	730.56005	279.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

731.56678

283.2

[M+Na]+

753.54872

281.2

[M+NH4]+

748.59332

281.5

[M+K]+

769.52266

281.9

[M-H]-

729.55222

271.3

[M+Na-2H]-

751.53417

280.2

[M]+

730.55895

279.5

[M]-

730.56005

279.5

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

Monogalactosyldiacylglycerol-palmitoyl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe