CID 131756866
1-arachidonyl-2-g-linolenoyl-3-lignoceroyl-glycerol
Structural Information
- Molecular Formula
- C65H120O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-37-34-29-26-23-20-17-14-11-8-5-2/h18,21,27,36,44,47,62H,4-17,19-20,22-26,28-35,37-43,45-46,48-61H2,1-3H3/b21-18-,36-27-,47-44-
- InChIKey
- AUOPWWFGOYZMCI-JMVJJDGNSA-N
- Compound name
- [3-icosanoyloxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] tetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 997.91578 | 348.6 |
[M+Na]+ | 1019.8977 | 347.6 |
[M+NH4]+ | 1014.9423 | 350.4 |
[M+K]+ | 1035.8717 | 353.0 |
[M-H]- | 995.90122 | 328.9 |
[M+Na-2H]- | 1017.8832 | 340.1 |
[M]+ | 996.90795 | 344.5 |
[M]- | 996.90905 | 344.5 |
Literature stripe
Patent stripe
No patent data available for this compound.