PubChemLite - 1-oleoyl-2-palmitoleoyl-3-oleoyl-glycerol (C55H100O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C55H100O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h21,24-28,52H,4-20,22-23,29-51H2,1-3H3/b24-21-,27-25-,28-26-

InChIKey

VCABCCITBXMTKG-CABVQDRLSA-N

Compound name

[2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate

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]+	857.75928	318.2
[M+Na]+	879.74122	318.1
[M+NH4]+	874.78582	320.3
[M+K]+	895.71516	321.7
[M-H]-	855.74472	301.6
[M+Na-2H]-	877.72667	312.8
[M]+	856.75145	314.8
[M]-	856.75255	314.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

857.75928

318.2

[M+Na]+

879.74122

318.1

[M+NH4]+

874.78582

320.3

[M+K]+

895.71516

321.7

[M-H]-

855.74472

301.6

[M+Na-2H]-

877.72667

312.8

[M]+

856.75145

314.8

[M]-

856.75255

314.8

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

1-oleoyl-2-palmitoleoyl-3-oleoyl-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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