CID 131801814
Diacylglycerol(22:0/0:0/22:2)
Structural Information
- Molecular Formula
- C47H88O5
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)O
- InChI
- InChI=1S/C47H88O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,45,48H,3-10,12,14-16,18,20-44H2,1-2H3/b13-11-,19-17-/t45-/m0/s1
- InChIKey
- BOINDJHOOSROAR-SGKUFLSRSA-N
- Compound name
- [(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-hydroxypropyl] docosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 733.67043 | 288.3 |
[M+Na]+ | 755.65237 | 292.2 |
[M-H]- | 731.65587 | 271.6 |
[M+NH4]+ | 750.69697 | 290.7 |
[M+K]+ | 771.62631 | 297.4 |
[M+H-H2O]+ | 715.66041 | 287.4 |
[M+HCOO]- | 777.66135 | 287.7 |
[M+CH3COO]- | 791.67700 | 288.4 |
[M+Na-2H]- | 753.63782 | 268.4 |
[M]+ | 732.66260 | 287.5 |
[M]- | 732.66370 | 287.5 |
Literature stripe
Patent stripe
No patent data available for this compound.