CID 131757311
Tracylglycerol(22:0/20:0/22:4)
Structural Information
- Molecular Formula
- C67H122O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C67H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,33,36,41,44,64H,4-15,17-18,20-24,26-27,29-32,34-35,37-40,42-43,45-63H2,1-3H3/b19-16-,28-25-,36-33-,44-41-/t64-/m1/s1
- InChIKey
- SSOBOFYLLSLJDS-DTMJVACJSA-N
- Compound name
- [(2S)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-icosanoyloxypropyl] docosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1023.9314 | 344.8 |
[M+Na]+ | 1045.9133 | 348.4 |
[M-H]- | 1021.9169 | 326.0 |
[M+NH4]+ | 1040.9580 | 352.9 |
[M+K]+ | 1061.8873 | 360.6 |
[M+H-H2O]+ | 1005.9214 | 344.3 |
[M+HCOO]- | 1067.9223 | 338.9 |
[M+CH3COO]- | 1081.9380 | 338.7 |
[M+Na-2H]- | 1043.8988 | 320.4 |
[M]+ | 1022.9236 | 347.6 |
[M]- | 1022.9247 | 347.6 |
Literature stripe
Patent stripe
No patent data available for this compound.