PubChemLite - 1-arachidonoyl-2-myristoleoyl-3-arachidonoyl-glycerol (C57H92O6)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC

InChI

InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-20,24-27,30-33,37-38,40-41,54H,4-14,21-23,28-29,34-36,39,42-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,40-37-,41-38-

InChIKey

FVBYKTPKGFFXNH-ZRRRTUBXSA-N

Compound name

[3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate

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]+	873.69668	313.3
[M+Na]+	895.67862	315.8
[M+NH4]+	890.72322	315.4
[M+K]+	911.65256	318.8
[M-H]-	871.68212	300.7
[M+Na-2H]-	893.66407	309.7
[M]+	872.68885	311.4
[M]-	872.68995	311.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

873.69668

313.3

[M+Na]+

895.67862

315.8

[M+NH4]+

890.72322

315.4

[M+K]+

911.65256

318.8

[M-H]-

871.68212

300.7

[M+Na-2H]-

893.66407

309.7

[M]+

872.68885

311.4

[M]-

872.68995

311.4

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

1-arachidonoyl-2-myristoleoyl-3-arachidonoyl-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe