PubChemLite - Tracylglycerol(24:1/22:6/24:1) (C73H126O6)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C73H126O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-41-44-47-50-53-56-59-62-65-71(74)77-68-70(79-73(76)67-64-61-58-55-52-49-46-43-38-33-30-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,25-30,38,43,49,52,58,61,70H,4-8,10-11,13-17,19-20,22-24,31-37,39-42,44-48,50-51,53-57,59-60,62-69H2,1-3H3/b12-9-,21-18-,28-25-,29-26-,30-27-,43-38-,52-49-,61-58-

InChIKey

BVMWSZQGOKCKSO-OPAANMGRSA-N

Compound name

[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropyl] (Z)-tetracos-15-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]+	1099.9627	352.9
[M+Na]+	1121.9446	358.0
[M-H]-	1097.9481	335.3
[M+NH4]+	1116.9892	362.2
[M+K]+	1137.9186	370.7
[M+H-H2O]+	1081.9527	352.2
[M+HCOO]-	1143.9536	348.4
[M+CH3COO]-	1157.9693	349.0
[M+Na-2H]-	1119.9301	328.7
[M]+	1098.9549	356.0
[M]-	1098.9559	356.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1099.9627

352.9

[M+Na]+

1121.9446

358.0

[M-H]-

1097.9481

335.3

[M+NH4]+

1116.9892

362.2

[M+K]+

1137.9186

370.7

[M+H-H2O]+

1081.9527

352.2

[M+HCOO]-

1143.9536

348.4

[M+CH3COO]-

1157.9693

349.0

[M+Na-2H]-

1119.9301

328.7

[M]+

1098.9549

356.0

[M]-

1098.9559

356.0

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

Tracylglycerol(24:1/22:6/24:1)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe